2-methyl-3-[(2E,6E,10E,14E)-3,7,11,15-tetramethylnonadeca-2,6,10,14,18-pentaenyl]naphthalene-1,4-diol

C34H46O2 — CID 163410132

About 2-methyl-3-[(2E,6E,10E,14E)-3,7,11,15-tetramethylnonadeca-2,6,10,14,18-pentaenyl]naphthalene-1,4-diol

2-methyl-3-[(2E,6E,10E,14E)-3,7,11,15-tetramethylnonadeca-2,6,10,14,18-pentaenyl]naphthalene-1,4-diol (PubChem CID 163410132) has the molecular formula C34H46O2 and a molecular weight of 486.74 g/mol. Its IUPAC name is 2-methyl-3-[(2E,6E,10E,14E)-3,7,11,15-tetramethylnonadeca-2,6,10,14,18-pentaenyl]naphthalene-1,4-diol.

Molecular Properties

• Compound Name: 2-methyl-3-[(2E,6E,10E,14E)-3,7,11,15-tetramethylnonadeca-2,6,10,14,18-pentaenyl]naphthalene-1,4-diol
• PubChem CID: 163410132
• Molecular Formula: C34H46O2
• Molecular Weight: 486.74 g/mol
• Exact Mass: 486.35
• IUPAC Name: 2-methyl-3-[(2E,6E,10E,14E)-3,7,11,15-tetramethylnonadeca-2,6,10,14,18-pentaenyl]naphthalene-1,4-diol
• SMILES: C=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1c(C)c(O)c2ccccc2c1O
• InChI: InChI=1S/C34H46O2/c1-7-8-14-25(2)15-11-16-26(3)17-12-18-27(4)19-13-20-28(5)23-24-30-29(6)33(35)31-21-9-10-22-32(31)34(30)36/h7,9-10,15,17,19,21-23,35-36H,1,8,11-14,16,18,20,24H2,2-6H3/b25-15+,26-17+,27-19+,28-23+
• InChIKey: PVMRGZSQWCJCGB-OJTCNYPGSA-N
• XLogP: 10.19
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.74
LogP ≤ 5	10.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2E,6E,10E,14E)-3,7,11,15-tetramethylnonadeca-2,6,10,14,18-pentaenyl]naphthalene-1,4-diol?

The IUPAC name of 2-methyl-3-[(2E,6E,10E,14E)-3,7,11,15-tetramethylnonadeca-2,6,10,14,18-pentaenyl]naphthalene-1,4-diol (CID 163410132) is 2-methyl-3-[(2E,6E,10E,14E)-3,7,11,15-tetramethylnonadeca-2,6,10,14,18-pentaenyl]naphthalene-1,4-diol.

What is the SMILES notation for 2-methyl-3-[(2E,6E,10E,14E)-3,7,11,15-tetramethylnonadeca-2,6,10,14,18-pentaenyl]naphthalene-1,4-diol?

The canonical SMILES for 2-methyl-3-[(2E,6E,10E,14E)-3,7,11,15-tetramethylnonadeca-2,6,10,14,18-pentaenyl]naphthalene-1,4-diol is C=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1c(C)c(O)c2ccccc2c1O.

What is the InChIKey of 2-methyl-3-[(2E,6E,10E,14E)-3,7,11,15-tetramethylnonadeca-2,6,10,14,18-pentaenyl]naphthalene-1,4-diol?

The InChIKey is PVMRGZSQWCJCGB-OJTCNYPGSA-N. The full InChI is InChI=1S/C34H46O2/c1-7-8-14-25(2)15-11-16-26(3)17-12-18-27(4)19-13-20-28(5)23-24-30-29(6)33(35)31-21-9-10-22-32(31)34(30)36/h7,9-10,15,17,19,21-23,35-36H,1,8,11-14,16,18,20,24H2,2-6H3/b25-15+,26-17+,27-19+,28-23+.

What are the key properties of 2-methyl-3-[(2E,6E,10E,14E)-3,7,11,15-tetramethylnonadeca-2,6,10,14,18-pentaenyl]naphthalene-1,4-diol?

2-methyl-3-[(2E,6E,10E,14E)-3,7,11,15-tetramethylnonadeca-2,6,10,14,18-pentaenyl]naphthalene-1,4-diol has a molecular weight of 486.74 g/mol, XLogP of 10.19, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-3-[(2E,6E,10E,14E)-3,7,11,15-tetramethylnonadeca-2,6,10,14,18-pentaenyl]naphthalene-1,4-diol is sourced from PubChem (CID 163410132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).