[(Z)-3-phenylprop-2-enyl] 3-methylbutanoate

C14H18O2 — CID 24884265

IUPAC[(Z)-3-phenylprop-2-enyl] 3-methylbutanoate
SMILESCC(C)CC(=O)OC/C=C\c1ccccc1
InChIInChI=1S/C14H18O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-9,12H,10-11H2,1-2H3/b9-6-
InChIKeyFOCMOGKCPPTERB-TWGQIWQCSA-N
MW218.30 g/mol
LogP3.29
Rot. Bonds5

About [(Z)-3-phenylprop-2-enyl] 3-methylbutanoate

[(Z)-3-phenylprop-2-enyl] 3-methylbutanoate (PubChem CID 24884265) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is [(Z)-3-phenylprop-2-enyl] 3-methylbutanoate.

Molecular Properties

Compound Name[(Z)-3-phenylprop-2-enyl] 3-methylbutanoate
PubChem CID24884265
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name[(Z)-3-phenylprop-2-enyl] 3-methylbutanoate
SMILESCC(C)CC(=O)OC/C=C\c1ccccc1
InChIInChI=1S/C14H18O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-9,12H,10-11H2,1-2H3/b9-6-
InChIKeyFOCMOGKCPPTERB-TWGQIWQCSA-N
XLogP3.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-phenylprop-2-enyl] 3-methylbutanoate?
The IUPAC name of [(Z)-3-phenylprop-2-enyl] 3-methylbutanoate (CID 24884265) is [(Z)-3-phenylprop-2-enyl] 3-methylbutanoate.
What is the SMILES notation for [(Z)-3-phenylprop-2-enyl] 3-methylbutanoate?
The canonical SMILES for [(Z)-3-phenylprop-2-enyl] 3-methylbutanoate is CC(C)CC(=O)OC/C=C\c1ccccc1.
What is the InChIKey of [(Z)-3-phenylprop-2-enyl] 3-methylbutanoate?
The InChIKey is FOCMOGKCPPTERB-TWGQIWQCSA-N. The full InChI is InChI=1S/C14H18O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-9,12H,10-11H2,1-2H3/b9-6-.
What are the key properties of [(Z)-3-phenylprop-2-enyl] 3-methylbutanoate?
[(Z)-3-phenylprop-2-enyl] 3-methylbutanoate has a molecular weight of 218.30 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-phenylprop-2-enyl] 3-methylbutanoate is sourced from PubChem (CID 24884265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).