(5-ethenyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl) acetate

C12H12O2 — CID 140709226

IUPAC(5-ethenyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl) acetate
SMILESC=Cc1cccc2c1C(OC(C)=O)C2
InChIInChI=1S/C12H12O2/c1-3-9-5-4-6-10-7-11(12(9)10)14-8(2)13/h3-6,11H,1,7H2,2H3
InChIKeyRFCKTMVBADCVKN-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.49
Rot. Bonds2

About (5-ethenyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl) acetate

(5-ethenyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl) acetate (PubChem CID 140709226) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is (5-ethenyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl) acetate.

Molecular Properties

Compound Name(5-ethenyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl) acetate
PubChem CID140709226
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name(5-ethenyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl) acetate
SMILESC=Cc1cccc2c1C(OC(C)=O)C2
InChIInChI=1S/C12H12O2/c1-3-9-5-4-6-10-7-11(12(9)10)14-8(2)13/h3-6,11H,1,7H2,2H3
InChIKeyRFCKTMVBADCVKN-UHFFFAOYSA-N
XLogP2.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5-ethenyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-ethenyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl) acetate?
The IUPAC name of (5-ethenyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl) acetate (CID 140709226) is (5-ethenyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl) acetate.
What is the SMILES notation for (5-ethenyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl) acetate?
The canonical SMILES for (5-ethenyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl) acetate is C=Cc1cccc2c1C(OC(C)=O)C2.
What is the InChIKey of (5-ethenyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl) acetate?
The InChIKey is RFCKTMVBADCVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-3-9-5-4-6-10-7-11(12(9)10)14-8(2)13/h3-6,11H,1,7H2,2H3.
What are the key properties of (5-ethenyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl) acetate?
(5-ethenyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl) acetate has a molecular weight of 188.23 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethenyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl) acetate is sourced from PubChem (CID 140709226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).