1-(4-acetylcyclohexen-1-yl)heptan-1-one

C15H24O2 — CID 10037125

IUPAC1-(4-acetylcyclohexen-1-yl)heptan-1-one
SMILESCCCCCCC(=O)C1=CCC(C(C)=O)CC1
InChIInChI=1S/C15H24O2/c1-3-4-5-6-7-15(17)14-10-8-13(9-11-14)12(2)16/h10,13H,3-9,11H2,1-2H3
InChIKeyVFUOZMUDURBREC-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.84
Rot. Bonds7

About 1-(4-acetylcyclohexen-1-yl)heptan-1-one

1-(4-acetylcyclohexen-1-yl)heptan-1-one (PubChem CID 10037125) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-(4-acetylcyclohexen-1-yl)heptan-1-one.

Molecular Properties

Compound Name1-(4-acetylcyclohexen-1-yl)heptan-1-one
PubChem CID10037125
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-(4-acetylcyclohexen-1-yl)heptan-1-one
SMILESCCCCCCC(=O)C1=CCC(C(C)=O)CC1
InChIInChI=1S/C15H24O2/c1-3-4-5-6-7-15(17)14-10-8-13(9-11-14)12(2)16/h10,13H,3-9,11H2,1-2H3
InChIKeyVFUOZMUDURBREC-UHFFFAOYSA-N
XLogP3.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-acetylcyclohexen-1-yl)heptan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclopenten-1-yl)tridecan-1-one
CID 103448100
4-hexylcyclohexene-1-carboxylic acid
CID 3093761
4-dec-1-en-2-yl-1-methylcyclohexene
CID 71334029
(4R)-4-dec-1-en-2-yl-1-methylcyclohexene
CID 71355646
(4S)-4-hexylcyclohexene-1-carboxylate
CID 7452313
1-[4-(dimethylamino)cyclohexen-1-yl]-2-methylideneheptan-1-one
CID 118281624
1-[3,5-di(tetradecanoyl)phenyl]hexadecan-1-one
CID 15726207
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1-[3,5-di(dodecanoyl)phenyl]tetradecan-1-one
CID 14160625
4-butylcyclohexene-1-carboxylic acid
CID 14066826
[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] undecanoate
CID 50943567
4-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide
CID 174416000

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylcyclohexen-1-yl)heptan-1-one?
The IUPAC name of 1-(4-acetylcyclohexen-1-yl)heptan-1-one (CID 10037125) is 1-(4-acetylcyclohexen-1-yl)heptan-1-one.
What is the SMILES notation for 1-(4-acetylcyclohexen-1-yl)heptan-1-one?
The canonical SMILES for 1-(4-acetylcyclohexen-1-yl)heptan-1-one is CCCCCCC(=O)C1=CCC(C(C)=O)CC1.
What is the InChIKey of 1-(4-acetylcyclohexen-1-yl)heptan-1-one?
The InChIKey is VFUOZMUDURBREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-3-4-5-6-7-15(17)14-10-8-13(9-11-14)12(2)16/h10,13H,3-9,11H2,1-2H3.
What are the key properties of 1-(4-acetylcyclohexen-1-yl)heptan-1-one?
1-(4-acetylcyclohexen-1-yl)heptan-1-one has a molecular weight of 236.35 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylcyclohexen-1-yl)heptan-1-one is sourced from PubChem (CID 10037125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).