(Z)-14-methylpentadec-3-enenitrile

C₁₆H₂₉N — CID 139591513

About (Z)-14-methylpentadec-3-enenitrile

(Z)-14-methylpentadec-3-enenitrile (PubChem CID 139591513) has the molecular formula C₁₆H₂₉N and a molecular weight of 235.41 g/mol. Its IUPAC name is (Z)-14-methylpentadec-3-enenitrile.

Molecular Properties

• Compound Name: (Z)-14-methylpentadec-3-enenitrile
• PubChem CID: 139591513
• Molecular Formula: C₁₆H₂₉N
• Molecular Weight: 235.41 g/mol
• Exact Mass: 235.23
• IUPAC Name: (Z)-14-methylpentadec-3-enenitrile
• SMILES: CC(C)CCCCCCCCC/C=C\CC#N
• InChI: InChI=1S/C16H29N/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17/h9,11,16H,3-8,10,12-14H2,1-2H3/b11-9-
• InChIKey: NYXFTJGURNRCKM-LUAWRHEFSA-N
• XLogP: 5.62
• TPSA: 23.79 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 11
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	235.41
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-14-methylpentadec-3-enenitrile?

The IUPAC name of (Z)-14-methylpentadec-3-enenitrile (CID 139591513) is (Z)-14-methylpentadec-3-enenitrile.

What is the SMILES notation for (Z)-14-methylpentadec-3-enenitrile?

The canonical SMILES for (Z)-14-methylpentadec-3-enenitrile is CC(C)CCCCCCCCC/C=C\CC#N.

What is the InChIKey of (Z)-14-methylpentadec-3-enenitrile?

The InChIKey is NYXFTJGURNRCKM-LUAWRHEFSA-N. The full InChI is InChI=1S/C16H29N/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17/h9,11,16H,3-8,10,12-14H2,1-2H3/b11-9-.

What are the key properties of (Z)-14-methylpentadec-3-enenitrile?

(Z)-14-methylpentadec-3-enenitrile has a molecular weight of 235.41 g/mol, XLogP of 5.62, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-14-methylpentadec-3-enenitrile is sourced from PubChem (CID 139591513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139591513 — identifiers, structure, computed properties (public domain)

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