1,3,3-trimethyl-2-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene

C15H24 — CID 13028894

IUPAC1,3,3-trimethyl-2-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene
SMILESC=C/C(C)=C/CC1=C(C)CCCC1(C)C
InChIInChI=1S/C15H24/c1-6-12(2)9-10-14-13(3)8-7-11-15(14,4)5/h6,9H,1,7-8,10-11H2,2-5H3/b12-9+
InChIKeyULMFWERCHWRYNQ-FMIVXFBMSA-N
MW204.36 g/mol
LogP5.04
Rot. Bonds3

About 1,3,3-trimethyl-2-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene

1,3,3-trimethyl-2-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene (PubChem CID 13028894) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene.

Molecular Properties

Compound Name1,3,3-trimethyl-2-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene
PubChem CID13028894
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1,3,3-trimethyl-2-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene
SMILESC=C/C(C)=C/CC1=C(C)CCCC1(C)C
InChIInChI=1S/C15H24/c1-6-12(2)9-10-14-13(3)8-7-11-15(14,4)5/h6,9H,1,7-8,10-11H2,2-5H3/b12-9+
InChIKeyULMFWERCHWRYNQ-FMIVXFBMSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1,3,3-trimethyl-2-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene 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 1,3,3-trimethyl-2-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene?
The IUPAC name of 1,3,3-trimethyl-2-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene (CID 13028894) is 1,3,3-trimethyl-2-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene.
What is the SMILES notation for 1,3,3-trimethyl-2-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene?
The canonical SMILES for 1,3,3-trimethyl-2-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene is C=C/C(C)=C/CC1=C(C)CCCC1(C)C.
What is the InChIKey of 1,3,3-trimethyl-2-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene?
The InChIKey is ULMFWERCHWRYNQ-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H24/c1-6-12(2)9-10-14-13(3)8-7-11-15(14,4)5/h6,9H,1,7-8,10-11H2,2-5H3/b12-9+.
What are the key properties of 1,3,3-trimethyl-2-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene?
1,3,3-trimethyl-2-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene has a molecular weight of 204.36 g/mol, XLogP of 5.04, 3 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-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene is sourced from PubChem (CID 13028894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).