1-ethenyl-4-phenylbicyclo[2.2.2]octane

C16H20 — CID 86123048

IUPAC1-ethenyl-4-phenylbicyclo[2.2.2]octane
SMILESC=CC12CCC(c3ccccc3)(CC1)CC2
InChIInChI=1S/C16H20/c1-2-15-8-11-16(12-9-15,13-10-15)14-6-4-3-5-7-14/h2-7H,1,8-13H2
InChIKeyOCALATRRUXQSKX-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.46
Rot. Bonds2

About 1-ethenyl-4-phenylbicyclo[2.2.2]octane

1-ethenyl-4-phenylbicyclo[2.2.2]octane (PubChem CID 86123048) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-ethenyl-4-phenylbicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-ethenyl-4-phenylbicyclo[2.2.2]octane
PubChem CID86123048
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name1-ethenyl-4-phenylbicyclo[2.2.2]octane
SMILESC=CC12CCC(c3ccccc3)(CC1)CC2
InChIInChI=1S/C16H20/c1-2-15-8-11-16(12-9-15,13-10-15)14-6-4-3-5-7-14/h2-7H,1,8-13H2
InChIKeyOCALATRRUXQSKX-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.46
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 1-ethenyl-4-phenylbicyclo[2.2.2]octane?
The IUPAC name of 1-ethenyl-4-phenylbicyclo[2.2.2]octane (CID 86123048) is 1-ethenyl-4-phenylbicyclo[2.2.2]octane.
What is the SMILES notation for 1-ethenyl-4-phenylbicyclo[2.2.2]octane?
The canonical SMILES for 1-ethenyl-4-phenylbicyclo[2.2.2]octane is C=CC12CCC(c3ccccc3)(CC1)CC2.
What is the InChIKey of 1-ethenyl-4-phenylbicyclo[2.2.2]octane?
The InChIKey is OCALATRRUXQSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-2-15-8-11-16(12-9-15,13-10-15)14-6-4-3-5-7-14/h2-7H,1,8-13H2.
What are the key properties of 1-ethenyl-4-phenylbicyclo[2.2.2]octane?
1-ethenyl-4-phenylbicyclo[2.2.2]octane has a molecular weight of 212.34 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-phenylbicyclo[2.2.2]octane is sourced from PubChem (CID 86123048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).