3-ethylidene-1-methyl-1-(4-methylpenta-1,3-dienyl)cyclohexane

C15H24 — CID 139973453

IUPAC3-ethylidene-1-methyl-1-(4-methylpenta-1,3-dienyl)cyclohexane
SMILESCC=C1CCCC(C)(C=CC=C(C)C)C1
InChIInChI=1S/C15H24/c1-5-14-9-7-11-15(4,12-14)10-6-8-13(2)3/h5-6,8,10H,7,9,11-12H2,1-4H3
InChIKeyOKYCZJMZIKCJMX-UHFFFAOYSA-N
MW204.36 g/mol
LogP5.04
Rot. Bonds2

About 3-ethylidene-1-methyl-1-(4-methylpenta-1,3-dienyl)cyclohexane

3-ethylidene-1-methyl-1-(4-methylpenta-1,3-dienyl)cyclohexane (PubChem CID 139973453) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 3-ethylidene-1-methyl-1-(4-methylpenta-1,3-dienyl)cyclohexane.

Molecular Properties

Compound Name3-ethylidene-1-methyl-1-(4-methylpenta-1,3-dienyl)cyclohexane
PubChem CID139973453
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name3-ethylidene-1-methyl-1-(4-methylpenta-1,3-dienyl)cyclohexane
SMILESCC=C1CCCC(C)(C=CC=C(C)C)C1
InChIInChI=1S/C15H24/c1-5-14-9-7-11-15(4,12-14)10-6-8-13(2)3/h5-6,8,10H,7,9,11-12H2,1-4H3
InChIKeyOKYCZJMZIKCJMX-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3-ethylidene-1-methyl-1-(4-methylpenta-1,3-dienyl)cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,4Z)-4-ethylidene-2,2-dimethylcyclohexan-1-ol
CID 101374109
1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16,20-pentamethylhenicosa-1,3,5,7,9,11,13,15,17,19-decaenyl]cyclohexene
CID 100983894
(4E)-2,7-dimethylocta-2,4,6-triene
CID 11116127
ethane;3'-ethylidenespiro[1,2-dihydroindene-3,1'-cyclohexane]
CID 143674823
(2E)-2-(3,3-dimethylcyclohexylidene)acetic acid
CID 6428755
2-[[(6R)-2,6-dimethyl-6-(4-methylpenta-1,3-dienyl)cyclohexen-1-yl]methyl]-4-methoxyphenol
CID 162951163
1-methyl-3-oxocyclohexane-1-carbaldehyde
CID 13394827
2-[(7Z)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
CID 173264184
2-[3,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaenyl]-1,3,3-trimethylcyclohexene
CID 54413330
2-[(1E,3E,5E,7E,9E)-3,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaenyl]-1,3,3-trimethylcyclohexene
CID 14991237
(2Z)-2-ethylidene-1,1-dimethylcyclohexane
CID 59883733
2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;ethane
CID 142018580

Frequently Asked Questions

What is the IUPAC name of 3-ethylidene-1-methyl-1-(4-methylpenta-1,3-dienyl)cyclohexane?
The IUPAC name of 3-ethylidene-1-methyl-1-(4-methylpenta-1,3-dienyl)cyclohexane (CID 139973453) is 3-ethylidene-1-methyl-1-(4-methylpenta-1,3-dienyl)cyclohexane.
What is the SMILES notation for 3-ethylidene-1-methyl-1-(4-methylpenta-1,3-dienyl)cyclohexane?
The canonical SMILES for 3-ethylidene-1-methyl-1-(4-methylpenta-1,3-dienyl)cyclohexane is CC=C1CCCC(C)(C=CC=C(C)C)C1.
What is the InChIKey of 3-ethylidene-1-methyl-1-(4-methylpenta-1,3-dienyl)cyclohexane?
The InChIKey is OKYCZJMZIKCJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-5-14-9-7-11-15(4,12-14)10-6-8-13(2)3/h5-6,8,10H,7,9,11-12H2,1-4H3.
What are the key properties of 3-ethylidene-1-methyl-1-(4-methylpenta-1,3-dienyl)cyclohexane?
3-ethylidene-1-methyl-1-(4-methylpenta-1,3-dienyl)cyclohexane 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 3-ethylidene-1-methyl-1-(4-methylpenta-1,3-dienyl)cyclohexane is sourced from PubChem (CID 139973453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).