(2R)-6-methoxy-2,5,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene

C29H44O2 — CID 162914665

About (2R)-6-methoxy-2,5,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene

(2R)-6-methoxy-2,5,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene (PubChem CID 162914665) has the molecular formula C29H44O2 and a molecular weight of 424.67 g/mol. Its IUPAC name is (2R)-6-methoxy-2,5,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene.

Molecular Properties

• Compound Name: (2R)-6-methoxy-2,5,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene
• PubChem CID: 162914665
• Molecular Formula: C29H44O2
• Molecular Weight: 424.67 g/mol
• Exact Mass: 424.33
• IUPAC Name: (2R)-6-methoxy-2,5,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene
• SMILES: COc1cc(C)c2c(c1C)CC[C@@](C)(CCC=C(C)CCC=C(C)CCC=C(C)C)O2
• InChI: InChI=1S/C29H44O2/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-29(7)19-17-26-25(6)27(30-8)20-24(5)28(26)31-29/h12,14,16,20H,9-11,13,15,17-19H2,1-8H3/t29-/m1/s1
• InChIKey: MTGHTKWQBDGLJZ-GDLZYMKVSA-N
• XLogP: 8.60
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.67
LogP ≤ 5	8.60
H-Bond Donors ≤ 5	0
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 (2R)-6-methoxy-2,5,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene?

The IUPAC name of (2R)-6-methoxy-2,5,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene (CID 162914665) is (2R)-6-methoxy-2,5,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene.

What is the SMILES notation for (2R)-6-methoxy-2,5,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene?

The canonical SMILES for (2R)-6-methoxy-2,5,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene is COc1cc(C)c2c(c1C)CC[C@@](C)(CCC=C(C)CCC=C(C)CCC=C(C)C)O2.

What is the InChIKey of (2R)-6-methoxy-2,5,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene?

The InChIKey is MTGHTKWQBDGLJZ-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H44O2/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-29(7)19-17-26-25(6)27(30-8)20-24(5)28(26)31-29/h12,14,16,20H,9-11,13,15,17-19H2,1-8H3/t29-/m1/s1.

What are the key properties of (2R)-6-methoxy-2,5,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene?

(2R)-6-methoxy-2,5,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene has a molecular weight of 424.67 g/mol, XLogP of 8.60, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-6-methoxy-2,5,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene is sourced from PubChem (CID 162914665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).