(6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one

C₁₃H₂₁NO — CID 153342117

About (6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one

(6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one (PubChem CID 153342117) has the molecular formula C₁₃H₂₁NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one.

Molecular Properties

• Compound Name: (6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one
• PubChem CID: 153342117
• Molecular Formula: C₁₃H₂₁NO
• Molecular Weight: 207.32 g/mol
• Exact Mass: 207.16
• IUPAC Name: (6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one
• SMILES: C=C/C(=C\C=C/C)CC(N)C(=O)C(C)C
• InChI: InChI=1S/C13H21NO/c1-5-7-8-11(6-2)9-12(14)13(15)10(3)4/h5-8,10,12H,2,9,14H2,1,3-4H3/b7-5-,11-8+
• InChIKey: YJVSOHFUAHALIT-UKJSTWFMSA-N
• XLogP: 2.62
• TPSA: 43.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	207.32
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one?

The IUPAC name of (6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one (CID 153342117) is (6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one.

What is the SMILES notation for (6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one?

The canonical SMILES for (6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one is C=C/C(=C\C=C/C)CC(N)C(=O)C(C)C.

What is the InChIKey of (6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one?

The InChIKey is YJVSOHFUAHALIT-UKJSTWFMSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-7-8-11(6-2)9-12(14)13(15)10(3)4/h5-8,10,12H,2,9,14H2,1,3-4H3/b7-5-,11-8+.

What are the key properties of (6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one?

(6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one has a molecular weight of 207.32 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one is sourced from PubChem (CID 153342117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153342117 — identifiers, structure, computed properties (public domain)

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