3-methoxy-6-methyl-2-prop-2-enylcyclohex-2-en-1-one

C11H16O2 — CID 86166631

IUPAC3-methoxy-6-methyl-2-prop-2-enylcyclohex-2-en-1-one
SMILESC=CCC1=C(OC)CCC(C)C1=O
InChIInChI=1S/C11H16O2/c1-4-5-9-10(13-3)7-6-8(2)11(9)12/h4,8H,1,5-7H2,2-3H3
InChIKeyWYTOVGZNFDRXPA-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.46
Rot. Bonds3

About 3-methoxy-6-methyl-2-prop-2-enylcyclohex-2-en-1-one

3-methoxy-6-methyl-2-prop-2-enylcyclohex-2-en-1-one (PubChem CID 86166631) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-methoxy-6-methyl-2-prop-2-enylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-methoxy-6-methyl-2-prop-2-enylcyclohex-2-en-1-one
PubChem CID86166631
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3-methoxy-6-methyl-2-prop-2-enylcyclohex-2-en-1-one
SMILESC=CCC1=C(OC)CCC(C)C1=O
InChIInChI=1S/C11H16O2/c1-4-5-9-10(13-3)7-6-8(2)11(9)12/h4,8H,1,5-7H2,2-3H3
InChIKeyWYTOVGZNFDRXPA-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-3-prop-2-enylcyclohexa-2,5-diene-1,4-dione
CID 11137685
2-imino-5-methylcyclopentan-1-one
CID 119097697
4,5-dihydroxy-3-methyl-2-prop-2-enylcyclopent-2-en-1-one
CID 56631277
2-ethenyl-3-methoxycyclohex-2-en-1-one
CID 45116896
2,3-dimethyl-4-prop-2-enyl-2H-furan-5-one
CID 14200711
(2R)-5-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 95431927
[(1S)-1-[(2S)-5-oxopyrrolidin-2-yl]but-3-enyl] acetate
CID 135039810
2,3-dimethoxy-5-methylcyclohex-2-ene-1,4-dione
CID 121387263
2-(dimethylaminomethylidene)-6-methyl-3-methylidenecyclohexan-1-one
CID 123735445
2-but-3-enyl-3-methylcyclopent-2-en-1-one
CID 13024689
3-prop-2-enylcyclopent-2-en-1-one
CID 11988999
(3S)-3-methyl-2-methylidenecyclopentan-1-one
CID 11789153

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-methyl-2-prop-2-enylcyclohex-2-en-1-one?
The IUPAC name of 3-methoxy-6-methyl-2-prop-2-enylcyclohex-2-en-1-one (CID 86166631) is 3-methoxy-6-methyl-2-prop-2-enylcyclohex-2-en-1-one.
What is the SMILES notation for 3-methoxy-6-methyl-2-prop-2-enylcyclohex-2-en-1-one?
The canonical SMILES for 3-methoxy-6-methyl-2-prop-2-enylcyclohex-2-en-1-one is C=CCC1=C(OC)CCC(C)C1=O.
What is the InChIKey of 3-methoxy-6-methyl-2-prop-2-enylcyclohex-2-en-1-one?
The InChIKey is WYTOVGZNFDRXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-4-5-9-10(13-3)7-6-8(2)11(9)12/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 3-methoxy-6-methyl-2-prop-2-enylcyclohex-2-en-1-one?
3-methoxy-6-methyl-2-prop-2-enylcyclohex-2-en-1-one has a molecular weight of 180.25 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-methyl-2-prop-2-enylcyclohex-2-en-1-one is sourced from PubChem (CID 86166631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).