2-(cyclohexen-1-yl)-4-methoxy-4-methylcyclopent-2-en-1-one

C13H18O2 — CID 139248711

IUPAC2-(cyclohexen-1-yl)-4-methoxy-4-methylcyclopent-2-en-1-one
SMILESCOC1(C)C=C(C2=CCCCC2)C(=O)C1
InChIInChI=1S/C13H18O2/c1-13(15-2)8-11(12(14)9-13)10-6-4-3-5-7-10/h6,8H,3-5,7,9H2,1-2H3
InChIKeyKAGPXPHTXCTODS-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.79
Rot. Bonds2

About 2-(cyclohexen-1-yl)-4-methoxy-4-methylcyclopent-2-en-1-one

2-(cyclohexen-1-yl)-4-methoxy-4-methylcyclopent-2-en-1-one (PubChem CID 139248711) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-4-methoxy-4-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-4-methoxy-4-methylcyclopent-2-en-1-one
PubChem CID139248711
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-(cyclohexen-1-yl)-4-methoxy-4-methylcyclopent-2-en-1-one
SMILESCOC1(C)C=C(C2=CCCCC2)C(=O)C1
InChIInChI=1S/C13H18O2/c1-13(15-2)8-11(12(14)9-13)10-6-4-3-5-7-10/h6,8H,3-5,7,9H2,1-2H3
InChIKeyKAGPXPHTXCTODS-UHFFFAOYSA-N
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

14-Methoxytricyclo[10.3.1.01,14]hexadec-12-en-16-one
CID 11277022
4-Butyl-4-methoxy-2-methylcyclohex-2-en-1-one
CID 134922463
(2S)-2-(2-oxopropyl)-1-oxaspiro[4.5]deca-6,9-dien-8-one
CID 134968947
1-[2-(3-Methoxyprop-1-en-2-yl)cyclopenten-1-yl]-2-methylbut-3-en-1-one
CID 138974955
4-Hept-1-ynyl-4-methoxy-2-pentylcyclopent-2-en-1-one
CID 139248714
4-Methoxy-2,5-dipropylcyclopent-2-en-1-one
CID 85677436
7-Methoxy-2,3,4,5-tetrahydroinden-1-one
CID 140983016
7-Methoxy-4-methyl-2,3,4,5-tetrahydroinden-1-one
CID 141318141
5-hexyl-5-methoxy-3,4-dihydro-2H-inden-1-one
CID 142675602
1-[4-(1-Methoxypropyl)cyclohexa-1,3-dien-1-yl]ethanone
CID 145580372
1-(1-Methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)heptan-1-one
CID 152362832
1-(3,3-Dimethylcyclohexen-1-yl)ethanone;1-(2-methoxypropan-2-yl)-3,3-dimethylcyclohexene
CID 162278564

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-4-methoxy-4-methylcyclopent-2-en-1-one?
The IUPAC name of 2-(cyclohexen-1-yl)-4-methoxy-4-methylcyclopent-2-en-1-one (CID 139248711) is 2-(cyclohexen-1-yl)-4-methoxy-4-methylcyclopent-2-en-1-one.
What is the SMILES notation for 2-(cyclohexen-1-yl)-4-methoxy-4-methylcyclopent-2-en-1-one?
The canonical SMILES for 2-(cyclohexen-1-yl)-4-methoxy-4-methylcyclopent-2-en-1-one is COC1(C)C=C(C2=CCCCC2)C(=O)C1.
What is the InChIKey of 2-(cyclohexen-1-yl)-4-methoxy-4-methylcyclopent-2-en-1-one?
The InChIKey is KAGPXPHTXCTODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-13(15-2)8-11(12(14)9-13)10-6-4-3-5-7-10/h6,8H,3-5,7,9H2,1-2H3.
What are the key properties of 2-(cyclohexen-1-yl)-4-methoxy-4-methylcyclopent-2-en-1-one?
2-(cyclohexen-1-yl)-4-methoxy-4-methylcyclopent-2-en-1-one has a molecular weight of 206.28 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-4-methoxy-4-methylcyclopent-2-en-1-one is sourced from PubChem (CID 139248711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).