1-ethenylcyclohexene

C8H12 — CID 17497

IUPAC1-ethenylcyclohexene
SMILESC=CC1=CCCCC1
InChIInChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2,6H,1,3-5,7H2
InChIKeySDRZFSPCVYEJTP-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.67
Rot. Bonds1

About 1-ethenylcyclohexene

1-ethenylcyclohexene (PubChem CID 17497) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 1-ethenylcyclohexene.

Molecular Properties

Compound Name1-ethenylcyclohexene
PubChem CID17497
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name1-ethenylcyclohexene
SMILESC=CC1=CCCCC1
InChIInChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2,6H,1,3-5,7H2
InChIKeySDRZFSPCVYEJTP-UHFFFAOYSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylcyclohexene?
The IUPAC name of 1-ethenylcyclohexene (CID 17497) is 1-ethenylcyclohexene.
What is the SMILES notation for 1-ethenylcyclohexene?
The canonical SMILES for 1-ethenylcyclohexene is C=CC1=CCCCC1.
What is the InChIKey of 1-ethenylcyclohexene?
The InChIKey is SDRZFSPCVYEJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2,6H,1,3-5,7H2.
What are the key properties of 1-ethenylcyclohexene?
1-ethenylcyclohexene has a molecular weight of 108.18 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylcyclohexene is sourced from PubChem (CID 17497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).