[(Z)-3-phenylhex-3-enyl] prop-2-enoate

C₁₅H₁₈O₂ — CID 142724131

About [(Z)-3-phenylhex-3-enyl] prop-2-enoate

[(Z)-3-phenylhex-3-enyl] prop-2-enoate (PubChem CID 142724131) has the molecular formula C₁₅H₁₈O₂ and a molecular weight of 230.31 g/mol. Its IUPAC name is [(Z)-3-phenylhex-3-enyl] prop-2-enoate.

Molecular Properties

• Compound Name: [(Z)-3-phenylhex-3-enyl] prop-2-enoate
• PubChem CID: 142724131
• Molecular Formula: C₁₅H₁₈O₂
• Molecular Weight: 230.31 g/mol
• Exact Mass: 230.13
• IUPAC Name: [(Z)-3-phenylhex-3-enyl] prop-2-enoate
• SMILES: C=CC(=O)OCC/C(=C/CC)c1ccccc1
• InChI: InChI=1S/C15H18O2/c1-3-8-13(11-12-17-15(16)4-2)14-9-6-5-7-10-14/h4-10H,2-3,11-12H2,1H3/b13-8-
• InChIKey: MEQAHQPFVCOMCV-JYRVWZFOSA-N
• XLogP: 3.60
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	230.31
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-phenylhex-3-enyl] prop-2-enoate?

The IUPAC name of [(Z)-3-phenylhex-3-enyl] prop-2-enoate (CID 142724131) is [(Z)-3-phenylhex-3-enyl] prop-2-enoate.

What is the SMILES notation for [(Z)-3-phenylhex-3-enyl] prop-2-enoate?

The canonical SMILES for [(Z)-3-phenylhex-3-enyl] prop-2-enoate is C=CC(=O)OCC/C(=C/CC)c1ccccc1.

What is the InChIKey of [(Z)-3-phenylhex-3-enyl] prop-2-enoate?

The InChIKey is MEQAHQPFVCOMCV-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H18O2/c1-3-8-13(11-12-17-15(16)4-2)14-9-6-5-7-10-14/h4-10H,2-3,11-12H2,1H3/b13-8-.

What are the key properties of [(Z)-3-phenylhex-3-enyl] prop-2-enoate?

[(Z)-3-phenylhex-3-enyl] prop-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)-3-phenylhex-3-enyl] prop-2-enoate is sourced from PubChem (CID 142724131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142724131 — identifiers, structure, computed properties (public domain)

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