[(E)-3-phenylprop-2-enyl] pentanoate

C14H18O2 — CID 5367959

IUPAC[(E)-3-phenylprop-2-enyl] pentanoate
SMILESCCCCC(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C14H18O2/c1-2-3-11-14(15)16-12-7-10-13-8-5-4-6-9-13/h4-10H,2-3,11-12H2,1H3/b10-7+
InChIKeyFLSKWIBFXUNBAW-JXMROGBWSA-N
MW218.30 g/mol
LogP3.43
Rot. Bonds6

About [(E)-3-phenylprop-2-enyl] pentanoate

[(E)-3-phenylprop-2-enyl] pentanoate (PubChem CID 5367959) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] pentanoate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] pentanoate
PubChem CID5367959
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name[(E)-3-phenylprop-2-enyl] pentanoate
SMILESCCCCC(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C14H18O2/c1-2-3-11-14(15)16-12-7-10-13-8-5-4-6-9-13/h4-10H,2-3,11-12H2,1H3/b10-7+
InChIKeyFLSKWIBFXUNBAW-JXMROGBWSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(E)-3-phenylprop-2-enyl] pentanoate 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 [(E)-3-phenylprop-2-enyl] pentanoate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] pentanoate (CID 5367959) is [(E)-3-phenylprop-2-enyl] pentanoate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] pentanoate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] pentanoate is CCCCC(=O)OC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] pentanoate?
The InChIKey is FLSKWIBFXUNBAW-JXMROGBWSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-3-11-14(15)16-12-7-10-13-8-5-4-6-9-13/h4-10H,2-3,11-12H2,1H3/b10-7+.
What are the key properties of [(E)-3-phenylprop-2-enyl] pentanoate?
[(E)-3-phenylprop-2-enyl] pentanoate has a molecular weight of 218.30 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl] pentanoate is sourced from PubChem (CID 5367959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).