ethenylcyclohexane

C8H13+ — CID 134859891

IUPACethenylcyclohexane
SMILESC=[C+]C1CCCCC1
InChIInChI=1S/C8H13/c1-2-8-6-4-3-5-7-8/h8H,1,3-7H2/q+1
InChIKeyVWDODANZAUHYAJ-UHFFFAOYSA-N
MW109.19 g/mol
LogP2.56
Rot. Bonds1

About ethenylcyclohexane

ethenylcyclohexane (PubChem CID 134859891) has the molecular formula C8H13+ and a molecular weight of 109.19 g/mol. Its IUPAC name is ethenylcyclohexane.

Molecular Properties

Compound Nameethenylcyclohexane
PubChem CID134859891
Molecular FormulaC8H13+
Molecular Weight109.19 g/mol
Exact Mass109.10
IUPAC Nameethenylcyclohexane
SMILESC=[C+]C1CCCCC1
InChIInChI=1S/C8H13/c1-2-8-6-4-3-5-7-8/h8H,1,3-7H2/q+1
InChIKeyVWDODANZAUHYAJ-UHFFFAOYSA-N
XLogP2.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.19
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethenylcyclohexane 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

Vinylcyclohexane
CID 12757
Allylcyclohexane
CID 75027
Cyclohexane, 1-methylene-4-(1-methylethenyl)-
CID 68140
Cyclohexylallene
CID 21873
1-Methyl-4-methylidenecyclohexane
CID 520363
(Prop-1-en-2-yl)cyclohexane
CID 523966
1-Methyl-2-methylenecyclohexane
CID 137725
1-Ethyl-4-methylidenecyclohexane
CID 57602807
5-Cyclohexyl-1-pentene
CID 523968
m-Mentha-1(7),8-diene
CID 527272
1-Methyl-3-methylidenecyclohexane
CID 15577594
But-3-enylcyclohexane
CID 523967

Frequently Asked Questions

What is the IUPAC name of ethenylcyclohexane?
The IUPAC name of ethenylcyclohexane (CID 134859891) is ethenylcyclohexane.
What is the SMILES notation for ethenylcyclohexane?
The canonical SMILES for ethenylcyclohexane is C=[C+]C1CCCCC1.
What is the InChIKey of ethenylcyclohexane?
The InChIKey is VWDODANZAUHYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13/c1-2-8-6-4-3-5-7-8/h8H,1,3-7H2/q+1.
What are the key properties of ethenylcyclohexane?
ethenylcyclohexane has a molecular weight of 109.19 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylcyclohexane is sourced from PubChem (CID 134859891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).