3,4-dimethoxy-6-methylcyclohexene

C9H16O2 — CID 118201381

IUPAC3,4-dimethoxy-6-methylcyclohexene
SMILESCOC1C=CC(C)CC1OC
InChIInChI=1S/C9H16O2/c1-7-4-5-8(10-2)9(6-7)11-3/h4-5,7-9H,6H2,1-3H3
InChIKeySNBQXQJOKYBAOR-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.61
Rot. Bonds2

About 3,4-dimethoxy-6-methylcyclohexene

3,4-dimethoxy-6-methylcyclohexene (PubChem CID 118201381) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3,4-dimethoxy-6-methylcyclohexene.

Molecular Properties

Compound Name3,4-dimethoxy-6-methylcyclohexene
PubChem CID118201381
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3,4-dimethoxy-6-methylcyclohexene
SMILESCOC1C=CC(C)CC1OC
InChIInChI=1S/C9H16O2/c1-7-4-5-8(10-2)9(6-7)11-3/h4-5,7-9H,6H2,1-3H3
InChIKeySNBQXQJOKYBAOR-UHFFFAOYSA-N
XLogP1.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-6-methylcyclohexene?
The IUPAC name of 3,4-dimethoxy-6-methylcyclohexene (CID 118201381) is 3,4-dimethoxy-6-methylcyclohexene.
What is the SMILES notation for 3,4-dimethoxy-6-methylcyclohexene?
The canonical SMILES for 3,4-dimethoxy-6-methylcyclohexene is COC1C=CC(C)CC1OC.
What is the InChIKey of 3,4-dimethoxy-6-methylcyclohexene?
The InChIKey is SNBQXQJOKYBAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-4-5-8(10-2)9(6-7)11-3/h4-5,7-9H,6H2,1-3H3.
What are the key properties of 3,4-dimethoxy-6-methylcyclohexene?
3,4-dimethoxy-6-methylcyclohexene has a molecular weight of 156.22 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-6-methylcyclohexene is sourced from PubChem (CID 118201381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).