3-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one

C11H16O2 — CID 139746560

IUPAC3-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)C1CC(=O)C(C)=C(OC)C1
InChIInChI=1S/C11H16O2/c1-7(2)9-5-10(12)8(3)11(6-9)13-4/h9H,1,5-6H2,2-4H3
InChIKeyFDXXITWBRIPCEY-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.46
Rot. Bonds2

About 3-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one

3-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one (PubChem CID 139746560) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
PubChem CID139746560
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)C1CC(=O)C(C)=C(OC)C1
InChIInChI=1S/C11H16O2/c1-7(2)9-5-10(12)8(3)11(6-9)13-4/h9H,1,5-6H2,2-4H3
InChIKeyFDXXITWBRIPCEY-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

6-Hydroxycarvone
CID 380816
Tasmanone
CID 12443231
2-Cyclohexen-1-one, 3-methoxy-5,5-dimethyl-
CID 138318
2-Cyclohexen-1-one, 2-methyl-3-(2-methylpropoxy)-
CID 317029
Penichrypyrone A
CID 146683516
(2S)-5-methoxy-4,6,6-trimethyl-2-(2-methylpropanoyl)cyclohex-4-ene-1,3-dione
CID 163024259
(2R)-5-methoxy-4,6,6-trimethyl-2-(2-methylpropanoyl)cyclohex-4-ene-1,3-dione
CID 163024260
2-Cyclohexen-1-one, 5,5-dimethyl-3-(2-methylpropoxy)-
CID 558764
3-Methoxy-2-methyl-2-cyclohexen-1-one
CID 587655
2-Cyclohexen-1-one, 3-ethoxy-5-methyl-
CID 10855691
2-Cyclohexen-1-one, 2,6,6-trimethyl-3-(2-methylpropoxy)-
CID 10921765
5-Butyl-3-methoxy-2-cyclopenten-1-one
CID 574327

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The IUPAC name of 3-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one (CID 139746560) is 3-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for 3-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The canonical SMILES for 3-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one is C=C(C)C1CC(=O)C(C)=C(OC)C1.
What is the InChIKey of 3-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The InChIKey is FDXXITWBRIPCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-7(2)9-5-10(12)8(3)11(6-9)13-4/h9H,1,5-6H2,2-4H3.
What are the key properties of 3-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
3-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one has a molecular weight of 180.25 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 139746560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).