2-[(3E,7E)-4,8-dimethyldeca-3,7-dienyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol

C25H38O2 — CID 58662843

About 2-[(3E,7E)-4,8-dimethyldeca-3,7-dienyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol

2-[(3E,7E)-4,8-dimethyldeca-3,7-dienyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol (PubChem CID 58662843) has the molecular formula C25H38O2 and a molecular weight of 370.58 g/mol. Its IUPAC name is 2-[(3E,7E)-4,8-dimethyldeca-3,7-dienyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol.

Molecular Properties

• Compound Name: 2-[(3E,7E)-4,8-dimethyldeca-3,7-dienyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
• PubChem CID: 58662843
• Molecular Formula: C25H38O2
• Molecular Weight: 370.58 g/mol
• Exact Mass: 370.29
• IUPAC Name: 2-[(3E,7E)-4,8-dimethyldeca-3,7-dienyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
• SMILES: CC/C(C)=C/CC/C(C)=C/CCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1
• InChI: InChI=1S/C25H38O2/c1-8-17(2)11-9-12-18(3)13-10-15-25(7)16-14-22-21(6)23(26)19(4)20(5)24(22)27-25/h11,13,26H,8-10,12,14-16H2,1-7H3/b17-11+,18-13+
• InChIKey: KOPMMOVCTGAQIO-OUBUNXTGSA-N
• XLogP: 7.26
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	370.58
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(3E,7E)-4,8-dimethyldeca-3,7-dienyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?

The IUPAC name of 2-[(3E,7E)-4,8-dimethyldeca-3,7-dienyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol (CID 58662843) is 2-[(3E,7E)-4,8-dimethyldeca-3,7-dienyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol.

What is the SMILES notation for 2-[(3E,7E)-4,8-dimethyldeca-3,7-dienyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?

The canonical SMILES for 2-[(3E,7E)-4,8-dimethyldeca-3,7-dienyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol is CC/C(C)=C/CC/C(C)=C/CCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1.

What is the InChIKey of 2-[(3E,7E)-4,8-dimethyldeca-3,7-dienyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?

The InChIKey is KOPMMOVCTGAQIO-OUBUNXTGSA-N. The full InChI is InChI=1S/C25H38O2/c1-8-17(2)11-9-12-18(3)13-10-15-25(7)16-14-22-21(6)23(26)19(4)20(5)24(22)27-25/h11,13,26H,8-10,12,14-16H2,1-7H3/b17-11+,18-13+.

What are the key properties of 2-[(3E,7E)-4,8-dimethyldeca-3,7-dienyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?

2-[(3E,7E)-4,8-dimethyldeca-3,7-dienyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol has a molecular weight of 370.58 g/mol, XLogP of 7.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3E,7E)-4,8-dimethyldeca-3,7-dienyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 58662843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).