2-[(1E)-3-methoxy-3-methylpenta-1,4-dienyl]-1,3,3-trimethylcyclohexene

C16H26O — CID 15524056

IUPAC2-[(1E)-3-methoxy-3-methylpenta-1,4-dienyl]-1,3,3-trimethylcyclohexene
SMILESC=CC(C)(/C=C/C1=C(C)CCCC1(C)C)OC
InChIInChI=1S/C16H26O/c1-7-16(5,17-6)12-10-14-13(2)9-8-11-15(14,3)4/h7,10,12H,1,8-9,11H2,2-6H3/b12-10+
InChIKeyFVUXANZHRZQACB-ZRDIBKRKSA-N
MW234.38 g/mol
LogP4.66
Rot. Bonds4

About 2-[(1E)-3-methoxy-3-methylpenta-1,4-dienyl]-1,3,3-trimethylcyclohexene

2-[(1E)-3-methoxy-3-methylpenta-1,4-dienyl]-1,3,3-trimethylcyclohexene (PubChem CID 15524056) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2-[(1E)-3-methoxy-3-methylpenta-1,4-dienyl]-1,3,3-trimethylcyclohexene.

Molecular Properties

Compound Name2-[(1E)-3-methoxy-3-methylpenta-1,4-dienyl]-1,3,3-trimethylcyclohexene
PubChem CID15524056
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2-[(1E)-3-methoxy-3-methylpenta-1,4-dienyl]-1,3,3-trimethylcyclohexene
SMILESC=CC(C)(/C=C/C1=C(C)CCCC1(C)C)OC
InChIInChI=1S/C16H26O/c1-7-16(5,17-6)12-10-14-13(2)9-8-11-15(14,3)4/h7,10,12H,1,8-9,11H2,2-6H3/b12-10+
InChIKeyFVUXANZHRZQACB-ZRDIBKRKSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(1E)-3-methoxy-3-methylpenta-1,4-dienyl]-1,3,3-trimethylcyclohexene 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-[(1E)-3-methoxy-3-methylpenta-1,4-dienyl]-1,3,3-trimethylcyclohexene?
The IUPAC name of 2-[(1E)-3-methoxy-3-methylpenta-1,4-dienyl]-1,3,3-trimethylcyclohexene (CID 15524056) is 2-[(1E)-3-methoxy-3-methylpenta-1,4-dienyl]-1,3,3-trimethylcyclohexene.
What is the SMILES notation for 2-[(1E)-3-methoxy-3-methylpenta-1,4-dienyl]-1,3,3-trimethylcyclohexene?
The canonical SMILES for 2-[(1E)-3-methoxy-3-methylpenta-1,4-dienyl]-1,3,3-trimethylcyclohexene is C=CC(C)(/C=C/C1=C(C)CCCC1(C)C)OC.
What is the InChIKey of 2-[(1E)-3-methoxy-3-methylpenta-1,4-dienyl]-1,3,3-trimethylcyclohexene?
The InChIKey is FVUXANZHRZQACB-ZRDIBKRKSA-N. The full InChI is InChI=1S/C16H26O/c1-7-16(5,17-6)12-10-14-13(2)9-8-11-15(14,3)4/h7,10,12H,1,8-9,11H2,2-6H3/b12-10+.
What are the key properties of 2-[(1E)-3-methoxy-3-methylpenta-1,4-dienyl]-1,3,3-trimethylcyclohexene?
2-[(1E)-3-methoxy-3-methylpenta-1,4-dienyl]-1,3,3-trimethylcyclohexene has a molecular weight of 234.38 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E)-3-methoxy-3-methylpenta-1,4-dienyl]-1,3,3-trimethylcyclohexene is sourced from PubChem (CID 15524056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).