3-ethenylbicyclo[4.2.0]octa-1(6),2,4-triene

C10H10 — CID 22172249

IUPAC3-ethenylbicyclo[4.2.0]octa-1(6),2,4-triene
SMILESC=Cc1ccc2c(c1)CC2
InChIInChI=1S/C10H10/c1-2-8-3-4-9-5-6-10(9)7-8/h2-4,7H,1,5-6H2
InChIKeyDTGDMPJDZKDHEP-UHFFFAOYSA-N
MW130.19 g/mol
LogP2.43
Rot. Bonds1

About 3-ethenylbicyclo[4.2.0]octa-1(6),2,4-triene

3-ethenylbicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 22172249) has the molecular formula C10H10 and a molecular weight of 130.19 g/mol. Its IUPAC name is 3-ethenylbicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name3-ethenylbicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID22172249
Molecular FormulaC10H10
Molecular Weight130.19 g/mol
Exact Mass130.08
IUPAC Name3-ethenylbicyclo[4.2.0]octa-1(6),2,4-triene
SMILESC=Cc1ccc2c(c1)CC2
InChIInChI=1S/C10H10/c1-2-8-3-4-9-5-6-10(9)7-8/h2-4,7H,1,5-6H2
InChIKeyDTGDMPJDZKDHEP-UHFFFAOYSA-N
XLogP2.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylbicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of 3-ethenylbicyclo[4.2.0]octa-1(6),2,4-triene (CID 22172249) is 3-ethenylbicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for 3-ethenylbicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for 3-ethenylbicyclo[4.2.0]octa-1(6),2,4-triene is C=Cc1ccc2c(c1)CC2.
What is the InChIKey of 3-ethenylbicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is DTGDMPJDZKDHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10/c1-2-8-3-4-9-5-6-10(9)7-8/h2-4,7H,1,5-6H2.
What are the key properties of 3-ethenylbicyclo[4.2.0]octa-1(6),2,4-triene?
3-ethenylbicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 130.19 g/mol, XLogP of 2.43, 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]octa-1(6),2,4-triene is sourced from PubChem (CID 22172249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).