Menatetrenone

C₃₁H₄₀O₂ — CID 5282367

About Menatetrenone

Menatetrenone (PubChem CID 5282367) has the molecular formula C₃₁H₄₀O₂ and a molecular weight of 444.66 g/mol. Its IUPAC name is 2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene-1,4-dione.

Molecular Properties

• Compound Name: Menatetrenone
• PubChem CID: 5282367
• Molecular Formula: C₃₁H₄₀O₂
• Molecular Weight: 444.66 g/mol
• Exact Mass: 444.30
• IUPAC Name: 2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene-1,4-dione
• SMILES: CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O
• InChI: InChI=1S/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20+
• InChIKey: DKHGMERMDICWDU-GHDNBGIDSA-N
• XLogP: 8.92
• TPSA: 34.14 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.66
LogP ≤ 5	8.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Menatetrenone?

The IUPAC name of Menatetrenone (CID 5282367) is 2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene-1,4-dione.

What is the SMILES notation for Menatetrenone?

The canonical SMILES for Menatetrenone is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O.

What is the InChIKey of Menatetrenone?

The InChIKey is DKHGMERMDICWDU-GHDNBGIDSA-N. The full InChI is InChI=1S/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20+.

What are the key properties of Menatetrenone?

Menatetrenone has a molecular weight of 444.66 g/mol, XLogP of 8.92, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Menatetrenone is sourced from PubChem (CID 5282367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5282367 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1685 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.