2-propylcyclohexan-1-one

C9H16O — CID 7199

IUPAC2-propylcyclohexan-1-one
SMILESCCCC1CCCCC1=O
InChIInChI=1S/C9H16O/c1-2-5-8-6-3-4-7-9(8)10/h8H,2-7H2,1H3
InChIKeyOCJLPZCBZSCVCO-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.55
Rot. Bonds2

About 2-propylcyclohexan-1-one

2-propylcyclohexan-1-one (PubChem CID 7199) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-propylcyclohexan-1-one
PubChem CID7199
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-propylcyclohexan-1-one
SMILESCCCC1CCCCC1=O
InChIInChI=1S/C9H16O/c1-2-5-8-6-3-4-7-9(8)10/h8H,2-7H2,1H3
InChIKeyOCJLPZCBZSCVCO-UHFFFAOYSA-N
XLogP2.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Menthone
CID 26447
2-Methylcyclohexanone
CID 11419
3-Methylcyclohexanone
CID 11567
5-Methyl-3-heptanone
CID 7822
(+)-Isomenthone
CID 70962
Muskone
CID 10947
p-Menthan-3-one
CID 6986
4-Methylcyclohexanone
CID 11525
Isomenthone, (+-)-
CID 6432469
4-tert-Butylcyclohexanone
CID 7392
2-sec-Butyl cyclohexanone
CID 61771
2,2,6-Trimethylcyclohexanone
CID 17000

Frequently Asked Questions

What is the IUPAC name of 2-propylcyclohexan-1-one?
The IUPAC name of 2-propylcyclohexan-1-one (CID 7199) is 2-propylcyclohexan-1-one.
What is the SMILES notation for 2-propylcyclohexan-1-one?
The canonical SMILES for 2-propylcyclohexan-1-one is CCCC1CCCCC1=O.
What is the InChIKey of 2-propylcyclohexan-1-one?
The InChIKey is OCJLPZCBZSCVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-2-5-8-6-3-4-7-9(8)10/h8H,2-7H2,1H3.
What are the key properties of 2-propylcyclohexan-1-one?
2-propylcyclohexan-1-one has a molecular weight of 140.23 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylcyclohexan-1-one is sourced from PubChem (CID 7199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).