(2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene

C28H42O — CID 144558587

About (2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene

(2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene (PubChem CID 144558587) has the molecular formula C28H42O and a molecular weight of 394.64 g/mol. Its IUPAC name is (2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene.

Molecular Properties

• Compound Name: (2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene
• PubChem CID: 144558587
• Molecular Formula: C28H42O
• Molecular Weight: 394.64 g/mol
• Exact Mass: 394.32
• IUPAC Name: (2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene
• SMILES: CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)ccc(C)c2O1
• InChI: InChI=1S/C28H42O/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-19-28(7)20-18-26-24(5)16-17-25(6)27(26)29-28/h11,13,15-17H,8-10,12,14,18-20H2,1-7H3/b22-13+,23-15+/t28-/m1/s1
• InChIKey: CHDFBFAZWICJAF-BLOHLNEFSA-N
• XLogP: 8.59
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	394.64
LogP ≤ 5	8.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene?

The IUPAC name of (2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene (CID 144558587) is (2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene.

What is the SMILES notation for (2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene?

The canonical SMILES for (2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)ccc(C)c2O1.

What is the InChIKey of (2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene?

The InChIKey is CHDFBFAZWICJAF-BLOHLNEFSA-N. The full InChI is InChI=1S/C28H42O/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-19-28(7)20-18-26-24(5)16-17-25(6)27(26)29-28/h11,13,15-17H,8-10,12,14,18-20H2,1-7H3/b22-13+,23-15+/t28-/m1/s1.

What are the key properties of (2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene?

(2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene has a molecular weight of 394.64 g/mol, XLogP of 8.59, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene is sourced from PubChem (CID 144558587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).