3-ethenylbicyclo[4.2.0]oct-1(6)-ene

C10H14 — CID 18358762

IUPAC3-ethenylbicyclo[4.2.0]oct-1(6)-ene
SMILESC=CC1CCC2=C(CC2)C1
InChIInChI=1S/C10H14/c1-2-8-3-4-9-5-6-10(9)7-8/h2,8H,1,3-7H2
InChIKeyPXTYJVWSXHAFNV-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.06
Rot. Bonds1

About 3-ethenylbicyclo[4.2.0]oct-1(6)-ene

3-ethenylbicyclo[4.2.0]oct-1(6)-ene (PubChem CID 18358762) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 3-ethenylbicyclo[4.2.0]oct-1(6)-ene.

Molecular Properties

Compound Name3-ethenylbicyclo[4.2.0]oct-1(6)-ene
PubChem CID18358762
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name3-ethenylbicyclo[4.2.0]oct-1(6)-ene
SMILESC=CC1CCC2=C(CC2)C1
InChIInChI=1S/C10H14/c1-2-8-3-4-9-5-6-10(9)7-8/h2,8H,1,3-7H2
InChIKeyPXTYJVWSXHAFNV-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Cyclooctene, 3-(1-methylethenyl)-
CID 5367373
4-Methyl-1-(6-methylhept-3-en-2-yl)cyclohexene
CID 86022436
(4S)-4-methyl-1-[(E,2S)-6-methylhept-3-en-2-yl]cyclohexene
CID 163068277
3-(2-Propenyl)-cyclooctene
CID 5365715
Bicyclo[4.2.0]oct-6-ene
CID 12729262
Bicyclo(4.2.0)oct-2-ene
CID 21430317
(6S)-2-ethenylbicyclo[4.2.0]oct-1-ene
CID 163077299
exo-7-(2-Propenyl)bicyclo[4.2.0]oct-1(2)-ene
CID 562064
Bicyclo[5.1.1]non-1(8)-ene
CID 13093079
Bicyclo[6.1.0]non-1(9)-ene
CID 13095969
1-(2-Cyclopenten-1-yl)-1-cyclohexene
CID 14358731
3-Methylenebicyclo[3.3.1]non-6-ene
CID 12209082

Frequently Asked Questions

What is the IUPAC name of 3-ethenylbicyclo[4.2.0]oct-1(6)-ene?
The IUPAC name of 3-ethenylbicyclo[4.2.0]oct-1(6)-ene (CID 18358762) is 3-ethenylbicyclo[4.2.0]oct-1(6)-ene.
What is the SMILES notation for 3-ethenylbicyclo[4.2.0]oct-1(6)-ene?
The canonical SMILES for 3-ethenylbicyclo[4.2.0]oct-1(6)-ene is C=CC1CCC2=C(CC2)C1.
What is the InChIKey of 3-ethenylbicyclo[4.2.0]oct-1(6)-ene?
The InChIKey is PXTYJVWSXHAFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-2-8-3-4-9-5-6-10(9)7-8/h2,8H,1,3-7H2.
What are the key properties of 3-ethenylbicyclo[4.2.0]oct-1(6)-ene?
3-ethenylbicyclo[4.2.0]oct-1(6)-ene has a molecular weight of 134.22 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylbicyclo[4.2.0]oct-1(6)-ene is sourced from PubChem (CID 18358762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).