[(Z)-hex-3-enyl] (E)-3-phenylprop-2-enoate

C15H18O2 — CID 5367711

IUPAC[(Z)-hex-3-enyl] (E)-3-phenylprop-2-enoate
SMILESCC/C=C\CCOC(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H18O2/c1-2-3-4-8-13-17-15(16)12-11-14-9-6-5-7-10-14/h3-7,9-12H,2,8,13H2,1H3/b4-3-,12-11+
InChIKeyFKWGVMQNGUQXDN-FECXASIGSA-N
MW230.31 g/mol
LogP3.60
Rot. Bonds6

About [(Z)-hex-3-enyl] (E)-3-phenylprop-2-enoate

[(Z)-hex-3-enyl] (E)-3-phenylprop-2-enoate (PubChem CID 5367711) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is [(Z)-hex-3-enyl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[(Z)-hex-3-enyl] (E)-3-phenylprop-2-enoate
PubChem CID5367711
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name[(Z)-hex-3-enyl] (E)-3-phenylprop-2-enoate
SMILESCC/C=C\CCOC(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H18O2/c1-2-3-4-8-13-17-15(16)12-11-14-9-6-5-7-10-14/h3-7,9-12H,2,8,13H2,1H3/b4-3-,12-11+
InChIKeyFKWGVMQNGUQXDN-FECXASIGSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-hex-3-enyl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [(Z)-hex-3-enyl] (E)-3-phenylprop-2-enoate (CID 5367711) is [(Z)-hex-3-enyl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [(Z)-hex-3-enyl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [(Z)-hex-3-enyl] (E)-3-phenylprop-2-enoate is CC/C=C\CCOC(=O)/C=C/c1ccccc1.
What is the InChIKey of [(Z)-hex-3-enyl] (E)-3-phenylprop-2-enoate?
The InChIKey is FKWGVMQNGUQXDN-FECXASIGSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-3-4-8-13-17-15(16)12-11-14-9-6-5-7-10-14/h3-7,9-12H,2,8,13H2,1H3/b4-3-,12-11+.
What are the key properties of [(Z)-hex-3-enyl] (E)-3-phenylprop-2-enoate?
[(Z)-hex-3-enyl] (E)-3-phenylprop-2-enoate has a molecular weight of 230.31 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-3-enyl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 5367711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).