2-Cyclohexylcyclohexanone
IUPAC: 2-cyclohexylcyclohexan-1-one
Plain text
Chemfused. (2026). 2-Cyclohexylcyclohexanone, CAS 90-42-6. Retrieved 2026-04-28 from https://chemfused.com/cas/90-42-6
BibTeX
@misc{chemfused-cas-90426,
title = {2-Cyclohexylcyclohexanone, CAS 90-42-6},
author = {Chemfused},
year = {2026},
url = {https://chemfused.com/cas/90-42-6},
urldate = {2026-04-28}
}
2-Cyclohexylcyclohexanone (CAS 90-42-6) is a chemical compound with molecular formula C12H20O and molecular weight 180.29 g/mol . Hazard classifications: Hazardous to the Environment.
What is 2-Cyclohexylcyclohexanone?
- Molecular Formula
- C12H20O
- Molecular Weight
- 180.29 g/mol
Structure Identifiers
- SMILES
- C1CCC(CC1)C2CCCCC2=O
- InChI
- InChI=1S/C12H20O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-11H,1-9H2
- InChIKey
- UOBQDYFTAJKQAL-UHFFFAOYSA-N
Properties
Computed
Calculated molecular descriptors used in drug design and computational chemistry.
- Exact Mass
- 180.1514 Da
- XLogP
- 3.70
- TPSA
- 17.1 Ų
- H-Bond Donors
- 0
- H-Bond Acceptors
- 1
- Complexity
- 180
- Formal Charge
- 0
Safety information
GHS Pictograms
GHS09
Hazard Statements
- H411 Toxic to aquatic life with long lasting effects
Precautionary Statements
- P273 Avoid release to the environment
- P391 Collect spillage
- P501 Dispose of contents/container to an approved waste disposal plant
Synonyms (50)
- D83891
- 90-42-6
- AS-58775
- NSC22249
- SY048248
- 201-991-4
- AI3-08246
- DB-057204
- HSDB 5271
- NSC 22249
- NSC-22249
- Q27274324
- SBB007775
- B3QU3533W8
- CS-0155334
- Lavamenthe
- NS00012160
- ST50406813
- Z104477038
- BRN 1865785
- CAS-90-42-6
- EN300-20140
- MFCD00013795
- Tox21_302728
- AKOS000119332
- AKOS017278406
- CHEMBL3183461
- DTXCID6027424
- DTXSID8047424
- RefChem:86624
- SCHEMBL535669
- SCHEMBL9068672
- Bicyclohexanone
- NCGC00256926-01
- UNII-B3QU3533W8
- EINECS 201-991-4
- (1,1'-BICYCLOHEXYL)-2-ONE
- [1,1'-Bicyclohexyl]-2-one
- 1,1'-Bi(cyclohexyl)-2-one
- 2-Cyclohexylcyclohexanone
- 2-Cyclohexyl cyclohexanone
- 2-cyclohexyl-cyclohexanone
- [1,1'-Bi(cyclohexan)]-2-one
- [1,1'-bi(cyclohexane)]-2-one
- 2-cyclohexylcyclohexan-1-one
- Cyclohexanone, 2-cyclohexyl-
- (1,1'-BICYCLOHEXYL)-2-ONE [HSDB]
- 2-Cyclohexylcyclohexanone, AldrichCPR
- 4-07-00-00248 (Beilstein Handbook Reference)
- InChI=1/C12H20O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-11H,1-9H
Frequently asked questions
What is the CAS number of 2-Cyclohexylcyclohexanone?
The CAS Registry Number for 2-Cyclohexylcyclohexanone is 90-42-6.
What is the IUPAC name of 2-Cyclohexylcyclohexanone?
The IUPAC name of 2-Cyclohexylcyclohexanone is 2-cyclohexylcyclohexan-1-one.
What is the molecular formula of 2-Cyclohexylcyclohexanone?
2-Cyclohexylcyclohexanone has the molecular formula C12H20O and a molecular weight of 180.29 g/mol.
What is the SMILES notation for 2-Cyclohexylcyclohexanone?
The SMILES notation for 2-Cyclohexylcyclohexanone is C1CCC(CC1)C2CCCCC2=O.
Is 2-Cyclohexylcyclohexanone hazardous?
2-Cyclohexylcyclohexanone carries the following GHS hazard classifications: Hazardous to the Environment.
What are other names for 2-Cyclohexylcyclohexanone?
2-Cyclohexylcyclohexanone is also known as (1,1'-BICYCLOHEXYL)-2-ONE, (1,1'-BICYCLOHEXYL)-2-ONE [HSDB], [1,1'-Bi(cyclohexan)]-2-one, [1,1'-bi(cyclohexane)]-2-one, [1,1'-Bicyclohexyl]-2-one.
Data sourced from PubChem CID 7016. Last updated .
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