4-ethenyl-1-methylcyclohexene

C9H14 — CID 14912430

IUPAC4-ethenyl-1-methylcyclohexene
SMILESC=CC1CC=C(C)CC1
InChIInChI=1S/C9H14/c1-3-9-6-4-8(2)5-7-9/h3-4,9H,1,5-7H2,2H3
InChIKeyWBRWISGILFCCJB-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.92
Rot. Bonds1

About 4-ethenyl-1-methylcyclohexene

4-ethenyl-1-methylcyclohexene (PubChem CID 14912430) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 4-ethenyl-1-methylcyclohexene.

Molecular Properties

Compound Name4-ethenyl-1-methylcyclohexene
PubChem CID14912430
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name4-ethenyl-1-methylcyclohexene
SMILESC=CC1CC=C(C)CC1
InChIInChI=1S/C9H14/c1-3-9-6-4-8(2)5-7-9/h3-4,9H,1,5-7H2,2H3
InChIKeyWBRWISGILFCCJB-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-methylcyclohexene?
The IUPAC name of 4-ethenyl-1-methylcyclohexene (CID 14912430) is 4-ethenyl-1-methylcyclohexene.
What is the SMILES notation for 4-ethenyl-1-methylcyclohexene?
The canonical SMILES for 4-ethenyl-1-methylcyclohexene is C=CC1CC=C(C)CC1.
What is the InChIKey of 4-ethenyl-1-methylcyclohexene?
The InChIKey is WBRWISGILFCCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-3-9-6-4-8(2)5-7-9/h3-4,9H,1,5-7H2,2H3.
What are the key properties of 4-ethenyl-1-methylcyclohexene?
4-ethenyl-1-methylcyclohexene has a molecular weight of 122.21 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-methylcyclohexene is sourced from PubChem (CID 14912430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).