(E)-tetradec-3-enenitrile

C₁₄H₂₅N — CID 87740281

About (E)-tetradec-3-enenitrile

(E)-tetradec-3-enenitrile (PubChem CID 87740281) has the molecular formula C₁₄H₂₅N and a molecular weight of 207.36 g/mol. Its IUPAC name is (E)-tetradec-3-enenitrile.

Molecular Properties

• Compound Name: (E)-tetradec-3-enenitrile
• PubChem CID: 87740281
• Molecular Formula: C₁₄H₂₅N
• Molecular Weight: 207.36 g/mol
• Exact Mass: 207.20
• IUPAC Name: (E)-tetradec-3-enenitrile
• SMILES: CCCCCCCCCC/C=C/CC#N
• InChI: InChI=1S/C14H25N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h11-12H,2-10,13H2,1H3/b12-11+
• InChIKey: HEWPEBKRWNEZJD-VAWYXSNFSA-N
• XLogP: 4.99
• TPSA: 23.79 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	207.36
LogP ≤ 5	4.99
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 (E)-tetradec-3-enenitrile?

The IUPAC name of (E)-tetradec-3-enenitrile (CID 87740281) is (E)-tetradec-3-enenitrile.

What is the SMILES notation for (E)-tetradec-3-enenitrile?

The canonical SMILES for (E)-tetradec-3-enenitrile is CCCCCCCCCC/C=C/CC#N.

What is the InChIKey of (E)-tetradec-3-enenitrile?

The InChIKey is HEWPEBKRWNEZJD-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H25N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h11-12H,2-10,13H2,1H3/b12-11+.

What are the key properties of (E)-tetradec-3-enenitrile?

(E)-tetradec-3-enenitrile has a molecular weight of 207.36 g/mol, XLogP of 4.99, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-tetradec-3-enenitrile is sourced from PubChem (CID 87740281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 87740281 — identifiers, structure, computed properties (public domain)

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