2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene

C28H44O4 — CID 10049134

About 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene

2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene (PubChem CID 10049134) has the molecular formula C28H44O4 and a molecular weight of 444.66 g/mol. Its IUPAC name is 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene.

Molecular Properties

• Compound Name: 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene
• PubChem CID: 10049134
• Molecular Formula: C28H44O4
• Molecular Weight: 444.66 g/mol
• Exact Mass: 444.32
• IUPAC Name: 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene
• SMILES: COCCOCOc1c(C)c(C)c2c(c1C)CCC(C)(CC/C=C(\C)CCC=C(C)C)O2
• InChI: InChI=1S/C28H44O4/c1-20(2)11-9-12-21(3)13-10-15-28(7)16-14-25-24(6)26(31-19-30-18-17-29-8)22(4)23(5)27(25)32-28/h11,13H,9-10,12,14-19H2,1-8H3/b21-13+
• InChIKey: ZENNMLBJXFREIB-FYJGNVAPSA-N
• XLogP: 7.17
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.66
LogP ≤ 5	7.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene?

The IUPAC name of 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene (CID 10049134) is 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene.

What is the SMILES notation for 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene?

The canonical SMILES for 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene is COCCOCOc1c(C)c(C)c2c(c1C)CCC(C)(CC/C=C(\C)CCC=C(C)C)O2.

What is the InChIKey of 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene?

The InChIKey is ZENNMLBJXFREIB-FYJGNVAPSA-N. The full InChI is InChI=1S/C28H44O4/c1-20(2)11-9-12-21(3)13-10-15-28(7)16-14-25-24(6)26(31-19-30-18-17-29-8)22(4)23(5)27(25)32-28/h11,13H,9-10,12,14-19H2,1-8H3/b21-13+.

What are the key properties of 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene?

2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene has a molecular weight of 444.66 g/mol, XLogP of 7.17, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene is sourced from PubChem (CID 10049134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).