1-[(E)-2-cyclobutylethenyl]-3-methylcyclohexane

C13H22 — CID 142973794

IUPAC1-[(E)-2-cyclobutylethenyl]-3-methylcyclohexane
SMILESCC1CCCC(/C=C/C2CCC2)C1
InChIInChI=1S/C13H22/c1-11-4-2-7-13(10-11)9-8-12-5-3-6-12/h8-9,11-13H,2-7,10H2,1H3/b9-8+
InChIKeyODKDFKLBCWMLJB-CMDGGOBGSA-N
MW178.32 g/mol
LogP4.17
Rot. Bonds2

About 1-[(E)-2-cyclobutylethenyl]-3-methylcyclohexane

1-[(E)-2-cyclobutylethenyl]-3-methylcyclohexane (PubChem CID 142973794) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 1-[(E)-2-cyclobutylethenyl]-3-methylcyclohexane.

Molecular Properties

Compound Name1-[(E)-2-cyclobutylethenyl]-3-methylcyclohexane
PubChem CID142973794
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name1-[(E)-2-cyclobutylethenyl]-3-methylcyclohexane
SMILESCC1CCCC(/C=C/C2CCC2)C1
InChIInChI=1S/C13H22/c1-11-4-2-7-13(10-11)9-8-12-5-3-6-12/h8-9,11-13H,2-7,10H2,1H3/b9-8+
InChIKeyODKDFKLBCWMLJB-CMDGGOBGSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[(E)-2-cyclobutylethenyl]-3-methylcyclohexane 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

1-[(E)-2-bromoethenyl]-3-methylcyclohexane
CID 165470993
isocyanic acid;3-methylcyclohexane-1-carbaldehyde
CID 174560821
1-methyl-3-(2-methylprop-1-enyl)cyclohexane
CID 90939751
(1R)-1,3-dimethylcyclohexane
CID 12594306
CID 175388606
CID 175388606
(Z)-2-methyl-3-(3-methylcyclohexyl)prop-2-en-1-ol
CID 79335015
cis-(1R,3S)-1-chloro-3-methylcyclohexane
CID 643040
2-cyclohexylethenylcyclohexane
CID 4124459
cyclooctane;methylcyclobutane
CID 159456217
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975
cyclobutane;cyclopropane;methylcyclobutane
CID 157419563
trans-(1S,3S)-1,3-dimethylcyclooctane
CID 6427537

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclobutylethenyl]-3-methylcyclohexane?
The IUPAC name of 1-[(E)-2-cyclobutylethenyl]-3-methylcyclohexane (CID 142973794) is 1-[(E)-2-cyclobutylethenyl]-3-methylcyclohexane.
What is the SMILES notation for 1-[(E)-2-cyclobutylethenyl]-3-methylcyclohexane?
The canonical SMILES for 1-[(E)-2-cyclobutylethenyl]-3-methylcyclohexane is CC1CCCC(/C=C/C2CCC2)C1.
What is the InChIKey of 1-[(E)-2-cyclobutylethenyl]-3-methylcyclohexane?
The InChIKey is ODKDFKLBCWMLJB-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H22/c1-11-4-2-7-13(10-11)9-8-12-5-3-6-12/h8-9,11-13H,2-7,10H2,1H3/b9-8+.
What are the key properties of 1-[(E)-2-cyclobutylethenyl]-3-methylcyclohexane?
1-[(E)-2-cyclobutylethenyl]-3-methylcyclohexane has a molecular weight of 178.32 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclobutylethenyl]-3-methylcyclohexane is sourced from PubChem (CID 142973794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).