6-[(1E,3E)-4-methoxy-3-methylbuta-1,3-dienyl]-1,5,5-trimethylcyclohexene

C15H24O — CID 122205507

IUPAC6-[(1E,3E)-4-methoxy-3-methylbuta-1,3-dienyl]-1,5,5-trimethylcyclohexene
SMILESCO/C=C(C)/C=C/C1C(C)=CCCC1(C)C
InChIInChI=1S/C15H24O/c1-12(11-16-5)8-9-14-13(2)7-6-10-15(14,3)4/h7-9,11,14H,6,10H2,1-5H3/b9-8+,12-11+
InChIKeyGTCYGTCMWDIFLI-MVKOLZDDSA-N
MW220.36 g/mol
LogP4.48
Rot. Bonds3

About 6-[(1E,3E)-4-methoxy-3-methylbuta-1,3-dienyl]-1,5,5-trimethylcyclohexene

6-[(1E,3E)-4-methoxy-3-methylbuta-1,3-dienyl]-1,5,5-trimethylcyclohexene (PubChem CID 122205507) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 6-[(1E,3E)-4-methoxy-3-methylbuta-1,3-dienyl]-1,5,5-trimethylcyclohexene.

Molecular Properties

Compound Name6-[(1E,3E)-4-methoxy-3-methylbuta-1,3-dienyl]-1,5,5-trimethylcyclohexene
PubChem CID122205507
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name6-[(1E,3E)-4-methoxy-3-methylbuta-1,3-dienyl]-1,5,5-trimethylcyclohexene
SMILESCO/C=C(C)/C=C/C1C(C)=CCCC1(C)C
InChIInChI=1S/C15H24O/c1-12(11-16-5)8-9-14-13(2)7-6-10-15(14,3)4/h7-9,11,14H,6,10H2,1-5H3/b9-8+,12-11+
InChIKeyGTCYGTCMWDIFLI-MVKOLZDDSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(1E,3E)-4-methoxy-3-methylbuta-1,3-dienyl]-1,5,5-trimethylcyclohexene?
The IUPAC name of 6-[(1E,3E)-4-methoxy-3-methylbuta-1,3-dienyl]-1,5,5-trimethylcyclohexene (CID 122205507) is 6-[(1E,3E)-4-methoxy-3-methylbuta-1,3-dienyl]-1,5,5-trimethylcyclohexene.
What is the SMILES notation for 6-[(1E,3E)-4-methoxy-3-methylbuta-1,3-dienyl]-1,5,5-trimethylcyclohexene?
The canonical SMILES for 6-[(1E,3E)-4-methoxy-3-methylbuta-1,3-dienyl]-1,5,5-trimethylcyclohexene is CO/C=C(C)/C=C/C1C(C)=CCCC1(C)C.
What is the InChIKey of 6-[(1E,3E)-4-methoxy-3-methylbuta-1,3-dienyl]-1,5,5-trimethylcyclohexene?
The InChIKey is GTCYGTCMWDIFLI-MVKOLZDDSA-N. The full InChI is InChI=1S/C15H24O/c1-12(11-16-5)8-9-14-13(2)7-6-10-15(14,3)4/h7-9,11,14H,6,10H2,1-5H3/b9-8+,12-11+.
What are the key properties of 6-[(1E,3E)-4-methoxy-3-methylbuta-1,3-dienyl]-1,5,5-trimethylcyclohexene?
6-[(1E,3E)-4-methoxy-3-methylbuta-1,3-dienyl]-1,5,5-trimethylcyclohexene has a molecular weight of 220.36 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1E,3E)-4-methoxy-3-methylbuta-1,3-dienyl]-1,5,5-trimethylcyclohexene is sourced from PubChem (CID 122205507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).