2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-one

C15H24O — CID 101417495

IUPAC2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-one
SMILESC=C(CCC(=O)C(C)C)C1CC=C(C)CC1
InChIInChI=1S/C15H24O/c1-11(2)15(16)10-7-13(4)14-8-5-12(3)6-9-14/h5,11,14H,4,6-10H2,1-3H3
InChIKeyZKMKFSVHDMZVCK-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.29
Rot. Bonds5

About 2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-one

2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-one (PubChem CID 101417495) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-one.

Molecular Properties

Compound Name2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-one
PubChem CID101417495
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-one
SMILESC=C(CCC(=O)C(C)C)C1CC=C(C)CC1
InChIInChI=1S/C15H24O/c1-11(2)15(16)10-7-13(4)14-8-5-12(3)6-9-14/h5,11,14H,4,6-10H2,1-3H3
InChIKeyZKMKFSVHDMZVCK-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-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

2-methyl-1-(4-methylcyclohex-3-en-1-yl)propan-1-one
CID 89484122
4-dec-1-en-2-yl-1-methylcyclohexene
CID 71334029
(4R)-4-dec-1-en-2-yl-1-methylcyclohexene
CID 71355646
2-[(1R,3E,7E,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]prop-2-en-1-ol
CID 162979142
(2E)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-2,6-dien-1-ol
CID 158432615
2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-2,6-dien-1-ol
CID 529890
(4R)-1-methyl-4-[(5Z,10S,14S,18S)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene
CID 162876231
1-methyl-4-[(5E)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene
CID 101380860
ethane-1,2-diol;1-methyl-4-prop-1-en-2-ylcyclohexene
CID 67811623
1-(4-methylcyclohex-3-en-1-yl)propane-1,2-dione
CID 130027299
1-methyl-4-(6-methylhepta-2,4-dien-2-yl)cyclohexene
CID 73184988
(Z)-3-(4-methylcyclohex-3-en-1-yl)but-2-en-1-amine
CID 67319368

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-one?
The IUPAC name of 2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-one (CID 101417495) is 2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-one.
What is the SMILES notation for 2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-one?
The canonical SMILES for 2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-one is C=C(CCC(=O)C(C)C)C1CC=C(C)CC1.
What is the InChIKey of 2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-one?
The InChIKey is ZKMKFSVHDMZVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-11(2)15(16)10-7-13(4)14-8-5-12(3)6-9-14/h5,11,14H,4,6-10H2,1-3H3.
What are the key properties of 2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-one?
2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-one has a molecular weight of 220.36 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-one is sourced from PubChem (CID 101417495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).