5-methoxy-1,2,3,4-tetramethylcyclohexene

C11H20O — CID 143534436

IUPAC5-methoxy-1,2,3,4-tetramethylcyclohexene
SMILESCOC1CC(C)=C(C)C(C)C1C
InChIInChI=1S/C11H20O/c1-7-6-11(12-5)10(4)9(3)8(7)2/h9-11H,6H2,1-5H3
InChIKeyZVFCTHHPGVQWSO-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.01
Rot. Bonds1

About 5-methoxy-1,2,3,4-tetramethylcyclohexene

5-methoxy-1,2,3,4-tetramethylcyclohexene (PubChem CID 143534436) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 5-methoxy-1,2,3,4-tetramethylcyclohexene.

Molecular Properties

Compound Name5-methoxy-1,2,3,4-tetramethylcyclohexene
PubChem CID143534436
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name5-methoxy-1,2,3,4-tetramethylcyclohexene
SMILESCOC1CC(C)=C(C)C(C)C1C
InChIInChI=1S/C11H20O/c1-7-6-11(12-5)10(4)9(3)8(7)2/h9-11H,6H2,1-5H3
InChIKeyZVFCTHHPGVQWSO-UHFFFAOYSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-methoxy-1,2,3,4-tetramethylcyclohexene 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 5-methoxy-1,2,3,4-tetramethylcyclohexene?
The IUPAC name of 5-methoxy-1,2,3,4-tetramethylcyclohexene (CID 143534436) is 5-methoxy-1,2,3,4-tetramethylcyclohexene.
What is the SMILES notation for 5-methoxy-1,2,3,4-tetramethylcyclohexene?
The canonical SMILES for 5-methoxy-1,2,3,4-tetramethylcyclohexene is COC1CC(C)=C(C)C(C)C1C.
What is the InChIKey of 5-methoxy-1,2,3,4-tetramethylcyclohexene?
The InChIKey is ZVFCTHHPGVQWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-7-6-11(12-5)10(4)9(3)8(7)2/h9-11H,6H2,1-5H3.
What are the key properties of 5-methoxy-1,2,3,4-tetramethylcyclohexene?
5-methoxy-1,2,3,4-tetramethylcyclohexene has a molecular weight of 168.28 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,2,3,4-tetramethylcyclohexene is sourced from PubChem (CID 143534436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).