2,3-dimethoxy-1,5-dimethylcyclohexene

C10H18O2 — CID 89116329

IUPAC2,3-dimethoxy-1,5-dimethylcyclohexene
SMILESCOC1=C(C)CC(C)CC1OC
InChIInChI=1S/C10H18O2/c1-7-5-8(2)10(12-4)9(6-7)11-3/h7,9H,5-6H2,1-4H3
InChIKeyPSBDFHVHVXZKBR-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds2

About 2,3-dimethoxy-1,5-dimethylcyclohexene

2,3-dimethoxy-1,5-dimethylcyclohexene (PubChem CID 89116329) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2,3-dimethoxy-1,5-dimethylcyclohexene.

Molecular Properties

Compound Name2,3-dimethoxy-1,5-dimethylcyclohexene
PubChem CID89116329
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2,3-dimethoxy-1,5-dimethylcyclohexene
SMILESCOC1=C(C)CC(C)CC1OC
InChIInChI=1S/C10H18O2/c1-7-5-8(2)10(12-4)9(6-7)11-3/h7,9H,5-6H2,1-4H3
InChIKeyPSBDFHVHVXZKBR-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethoxy-1,5-dimethylcyclohexene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-1,5-dimethylcyclohexene?
The IUPAC name of 2,3-dimethoxy-1,5-dimethylcyclohexene (CID 89116329) is 2,3-dimethoxy-1,5-dimethylcyclohexene.
What is the SMILES notation for 2,3-dimethoxy-1,5-dimethylcyclohexene?
The canonical SMILES for 2,3-dimethoxy-1,5-dimethylcyclohexene is COC1=C(C)CC(C)CC1OC.
What is the InChIKey of 2,3-dimethoxy-1,5-dimethylcyclohexene?
The InChIKey is PSBDFHVHVXZKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7-5-8(2)10(12-4)9(6-7)11-3/h7,9H,5-6H2,1-4H3.
What are the key properties of 2,3-dimethoxy-1,5-dimethylcyclohexene?
2,3-dimethoxy-1,5-dimethylcyclohexene has a molecular weight of 170.25 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-1,5-dimethylcyclohexene is sourced from PubChem (CID 89116329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).