4-ethenyl-3-methylidenecyclohexene

C9H12 — CID 561677

IUPAC4-ethenyl-3-methylidenecyclohexene
SMILESC=CC1CCC=CC1=C
InChIInChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h3-4,6,9H,1-2,5,7H2
InChIKeyHNKLUGAAPXQGEL-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.69
Rot. Bonds1

About 4-ethenyl-3-methylidenecyclohexene

4-ethenyl-3-methylidenecyclohexene (PubChem CID 561677) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is 4-ethenyl-3-methylidenecyclohexene.

Molecular Properties

Compound Name4-ethenyl-3-methylidenecyclohexene
PubChem CID561677
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name4-ethenyl-3-methylidenecyclohexene
SMILESC=CC1CCC=CC1=C
InChIInChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h3-4,6,9H,1-2,5,7H2
InChIKeyHNKLUGAAPXQGEL-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.69
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-3-methylidenecyclohexene?
The IUPAC name of 4-ethenyl-3-methylidenecyclohexene (CID 561677) is 4-ethenyl-3-methylidenecyclohexene.
What is the SMILES notation for 4-ethenyl-3-methylidenecyclohexene?
The canonical SMILES for 4-ethenyl-3-methylidenecyclohexene is C=CC1CCC=CC1=C.
What is the InChIKey of 4-ethenyl-3-methylidenecyclohexene?
The InChIKey is HNKLUGAAPXQGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h3-4,6,9H,1-2,5,7H2.
What are the key properties of 4-ethenyl-3-methylidenecyclohexene?
4-ethenyl-3-methylidenecyclohexene has a molecular weight of 120.19 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-methylidenecyclohexene is sourced from PubChem (CID 561677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).