(2,6-dimethylcyclohex-2-en-1-yl)-phenylmethanone

C15H18O — CID 24977107

IUPAC(2,6-dimethylcyclohex-2-en-1-yl)-phenylmethanone
SMILESCC1=CCCC(C)C1C(=O)c1ccccc1
InChIInChI=1S/C15H18O/c1-11-7-6-8-12(2)14(11)15(16)13-9-4-3-5-10-13/h3-5,7,9-10,12,14H,6,8H2,1-2H3
InChIKeyRIVQPUIAJBMJLS-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.86
Rot. Bonds2

About (2,6-dimethylcyclohex-2-en-1-yl)-phenylmethanone

(2,6-dimethylcyclohex-2-en-1-yl)-phenylmethanone (PubChem CID 24977107) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is (2,6-dimethylcyclohex-2-en-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(2,6-dimethylcyclohex-2-en-1-yl)-phenylmethanone
PubChem CID24977107
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name(2,6-dimethylcyclohex-2-en-1-yl)-phenylmethanone
SMILESCC1=CCCC(C)C1C(=O)c1ccccc1
InChIInChI=1S/C15H18O/c1-11-7-6-8-12(2)14(11)15(16)13-9-4-3-5-10-13/h3-5,7,9-10,12,14H,6,8H2,1-2H3
InChIKeyRIVQPUIAJBMJLS-UHFFFAOYSA-N
XLogP3.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethylcyclohex-2-ene-1-carboxylic acid
CID 45084784
(2-methylcyclohex-2-en-1-yl)-phenylmethanone
CID 24976480
(2-methylcyclohexyl)-phenylmethanone
CID 13148606
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
2-benzoyl-4-methyl-3-phenylcyclobutan-1-one
CID 20723879
[(3S)-3-methylcyclohexyl]-phenylmethanone
CID 134867416
(1S,6R)-6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 744231
1-[(1S,2R,3R)-3-benzoyl-2-methylcyclopentyl]ethanone
CID 102181829
1-[(1R,2S,3R)-3-benzoyl-2-methylcyclopentyl]ethanone
CID 102579014
1-(2,3-dimethylcyclohex-3-en-1-yl)ethanone
CID 130029480
[(1R,3R)-2,2-dichloro-3-methylcyclopropyl]-phenylmethanone
CID 7019393
2-benzoyl-1-methylcyclohexane-1-carboxylic acid
CID 13054541

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylcyclohex-2-en-1-yl)-phenylmethanone?
The IUPAC name of (2,6-dimethylcyclohex-2-en-1-yl)-phenylmethanone (CID 24977107) is (2,6-dimethylcyclohex-2-en-1-yl)-phenylmethanone.
What is the SMILES notation for (2,6-dimethylcyclohex-2-en-1-yl)-phenylmethanone?
The canonical SMILES for (2,6-dimethylcyclohex-2-en-1-yl)-phenylmethanone is CC1=CCCC(C)C1C(=O)c1ccccc1.
What is the InChIKey of (2,6-dimethylcyclohex-2-en-1-yl)-phenylmethanone?
The InChIKey is RIVQPUIAJBMJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-11-7-6-8-12(2)14(11)15(16)13-9-4-3-5-10-13/h3-5,7,9-10,12,14H,6,8H2,1-2H3.
What are the key properties of (2,6-dimethylcyclohex-2-en-1-yl)-phenylmethanone?
(2,6-dimethylcyclohex-2-en-1-yl)-phenylmethanone has a molecular weight of 214.31 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylcyclohex-2-en-1-yl)-phenylmethanone is sourced from PubChem (CID 24977107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).