cyclohexanone

C6H10O — CID 7967

IUPACcyclohexanone
SMILESO=C1CCCCC1
InChIInChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
InChIKeyJHIVVAPYMSGYDF-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.52
Rot. Bonds

About cyclohexanone

cyclohexanone (PubChem CID 7967) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is cyclohexanone.

Molecular Properties

Compound Namecyclohexanone
PubChem CID7967
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Namecyclohexanone
SMILESO=C1CCCCC1
InChIInChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
InChIKeyJHIVVAPYMSGYDF-UHFFFAOYSA-N
XLogP1.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-Cyclohexanedione
CID 10434
1,2-Cyclohexanedione
CID 13006
1,4-Cyclohexanedione
CID 12511
(2R)-2-fluorocyclohexan-1-one
CID 643117
2-Fluorocyclohexanone
CID 11829404
(2H10)Cyclohexanone
CID 12998629
Cyclohexanone-2,2,6,6-d4
CID 12998634
4,4-Difluorocyclohexanone
CID 15789092
4-Fluorocyclohexan-1-one
CID 11999997
(2S)-2-Fluorocyclohexan-1-one
CID 42552906
2,2-Difluorocyclohexan-1-one
CID 12742622
(1-~13~C)Cyclohexanone
CID 12998639

Frequently Asked Questions

What is the IUPAC name of cyclohexanone?
The IUPAC name of cyclohexanone (CID 7967) is cyclohexanone.
What is the SMILES notation for cyclohexanone?
The canonical SMILES for cyclohexanone is O=C1CCCCC1.
What is the InChIKey of cyclohexanone?
The InChIKey is JHIVVAPYMSGYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2.
What are the key properties of cyclohexanone?
cyclohexanone has a molecular weight of 98.14 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanone is sourced from PubChem (CID 7967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).