3,4-dimethoxy-5,6-dimethyl-1-propan-2-ylcyclohexene

C13H24O2 — CID 173301750

IUPAC3,4-dimethoxy-5,6-dimethyl-1-propan-2-ylcyclohexene
SMILESCOC1C=C(C(C)C)C(C)C(C)C1OC
InChIInChI=1S/C13H24O2/c1-8(2)11-7-12(14-5)13(15-6)10(4)9(11)3/h7-10,12-13H,1-6H3
InChIKeyITNMPKRUSWVBHU-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.88
Rot. Bonds3

About 3,4-dimethoxy-5,6-dimethyl-1-propan-2-ylcyclohexene

3,4-dimethoxy-5,6-dimethyl-1-propan-2-ylcyclohexene (PubChem CID 173301750) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 3,4-dimethoxy-5,6-dimethyl-1-propan-2-ylcyclohexene.

Molecular Properties

Compound Name3,4-dimethoxy-5,6-dimethyl-1-propan-2-ylcyclohexene
PubChem CID173301750
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name3,4-dimethoxy-5,6-dimethyl-1-propan-2-ylcyclohexene
SMILESCOC1C=C(C(C)C)C(C)C(C)C1OC
InChIInChI=1S/C13H24O2/c1-8(2)11-7-12(14-5)13(15-6)10(4)9(11)3/h7-10,12-13H,1-6H3
InChIKeyITNMPKRUSWVBHU-UHFFFAOYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,4-dimethoxy-5,6-dimethyl-1-propan-2-ylcyclohexene 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 3,4-dimethoxy-5,6-dimethyl-1-propan-2-ylcyclohexene?
The IUPAC name of 3,4-dimethoxy-5,6-dimethyl-1-propan-2-ylcyclohexene (CID 173301750) is 3,4-dimethoxy-5,6-dimethyl-1-propan-2-ylcyclohexene.
What is the SMILES notation for 3,4-dimethoxy-5,6-dimethyl-1-propan-2-ylcyclohexene?
The canonical SMILES for 3,4-dimethoxy-5,6-dimethyl-1-propan-2-ylcyclohexene is COC1C=C(C(C)C)C(C)C(C)C1OC.
What is the InChIKey of 3,4-dimethoxy-5,6-dimethyl-1-propan-2-ylcyclohexene?
The InChIKey is ITNMPKRUSWVBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-8(2)11-7-12(14-5)13(15-6)10(4)9(11)3/h7-10,12-13H,1-6H3.
What are the key properties of 3,4-dimethoxy-5,6-dimethyl-1-propan-2-ylcyclohexene?
3,4-dimethoxy-5,6-dimethyl-1-propan-2-ylcyclohexene has a molecular weight of 212.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-5,6-dimethyl-1-propan-2-ylcyclohexene is sourced from PubChem (CID 173301750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).