8-ethenyl-9-oxatricyclo[5.2.1.04,8]dec-2-ene

C11H14O — CID 556514

IUPAC8-ethenyl-9-oxatricyclo[5.2.1.04,8]dec-2-ene
SMILESC=CC12OC3C=CC1CCC2C3
InChIInChI=1S/C11H14O/c1-2-11-8-3-4-9(11)7-10(12-11)6-5-8/h2,5-6,8-10H,1,3-4,7H2
InChIKeyPOMXCZHOLNGGGA-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.30
Rot. Bonds1

About 8-ethenyl-9-oxatricyclo[5.2.1.04,8]dec-2-ene

8-ethenyl-9-oxatricyclo[5.2.1.04,8]dec-2-ene (PubChem CID 556514) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 8-ethenyl-9-oxatricyclo[5.2.1.04,8]dec-2-ene.

Molecular Properties

Compound Name8-ethenyl-9-oxatricyclo[5.2.1.04,8]dec-2-ene
PubChem CID556514
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name8-ethenyl-9-oxatricyclo[5.2.1.04,8]dec-2-ene
SMILESC=CC12OC3C=CC1CCC2C3
InChIInChI=1S/C11H14O/c1-2-11-8-3-4-9(11)7-10(12-11)6-5-8/h2,5-6,8-10H,1,3-4,7H2
InChIKeyPOMXCZHOLNGGGA-UHFFFAOYSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 8-ethenyl-9-oxatricyclo[5.2.1.04,8]dec-2-ene?
The IUPAC name of 8-ethenyl-9-oxatricyclo[5.2.1.04,8]dec-2-ene (CID 556514) is 8-ethenyl-9-oxatricyclo[5.2.1.04,8]dec-2-ene.
What is the SMILES notation for 8-ethenyl-9-oxatricyclo[5.2.1.04,8]dec-2-ene?
The canonical SMILES for 8-ethenyl-9-oxatricyclo[5.2.1.04,8]dec-2-ene is C=CC12OC3C=CC1CCC2C3.
What is the InChIKey of 8-ethenyl-9-oxatricyclo[5.2.1.04,8]dec-2-ene?
The InChIKey is POMXCZHOLNGGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-2-11-8-3-4-9(11)7-10(12-11)6-5-8/h2,5-6,8-10H,1,3-4,7H2.
What are the key properties of 8-ethenyl-9-oxatricyclo[5.2.1.04,8]dec-2-ene?
8-ethenyl-9-oxatricyclo[5.2.1.04,8]dec-2-ene has a molecular weight of 162.23 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-9-oxatricyclo[5.2.1.04,8]dec-2-ene is sourced from PubChem (CID 556514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).