1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dienyl]cyclohexene

C15H24 — CID 15143646

IUPAC1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dienyl]cyclohexene
SMILESC/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C15H24/c1-6-12(2)9-10-14-13(3)8-7-11-15(14,4)5/h6,9-10H,7-8,11H2,1-5H3/b10-9+,12-6+
InChIKeyKUEVAPFABUUVHS-AYCKBHPDSA-N
MW204.36 g/mol
LogP5.04
Rot. Bonds2

About 1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dienyl]cyclohexene

1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dienyl]cyclohexene (PubChem CID 15143646) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dienyl]cyclohexene.

Molecular Properties

Compound Name1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dienyl]cyclohexene
PubChem CID15143646
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dienyl]cyclohexene
SMILESC/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C15H24/c1-6-12(2)9-10-14-13(3)8-7-11-15(14,4)5/h6,9-10H,7-8,11H2,1-5H3/b10-9+,12-6+
InChIKeyKUEVAPFABUUVHS-AYCKBHPDSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dienyl]cyclohexene?
The IUPAC name of 1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dienyl]cyclohexene (CID 15143646) is 1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dienyl]cyclohexene.
What is the SMILES notation for 1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dienyl]cyclohexene?
The canonical SMILES for 1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dienyl]cyclohexene is C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.
What is the InChIKey of 1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dienyl]cyclohexene?
The InChIKey is KUEVAPFABUUVHS-AYCKBHPDSA-N. The full InChI is InChI=1S/C15H24/c1-6-12(2)9-10-14-13(3)8-7-11-15(14,4)5/h6,9-10H,7-8,11H2,1-5H3/b10-9+,12-6+.
What are the key properties of 1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dienyl]cyclohexene?
1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dienyl]cyclohexene has a molecular weight of 204.36 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dienyl]cyclohexene is sourced from PubChem (CID 15143646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).