2-methyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrobenzo[h]chromen-6-ol

C30H40O2 — CID 54322296

About 2-methyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrobenzo[h]chromen-6-ol

2-methyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrobenzo[h]chromen-6-ol (PubChem CID 54322296) has the molecular formula C30H40O2 and a molecular weight of 432.65 g/mol. Its IUPAC name is 2-methyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrobenzo[h]chromen-6-ol.

Molecular Properties

• Compound Name: 2-methyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrobenzo[h]chromen-6-ol
• PubChem CID: 54322296
• Molecular Formula: C30H40O2
• Molecular Weight: 432.65 g/mol
• Exact Mass: 432.30
• IUPAC Name: 2-methyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrobenzo[h]chromen-6-ol
• SMILES: CC(C)=CCCC(C)=CCCC(C)=CCCC1(C)CCc2cc(O)c3ccccc3c2O1
• InChI: InChI=1S/C30H40O2/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-19-30(5)20-18-25-21-28(31)26-16-6-7-17-27(26)29(25)32-30/h6-7,11,13,15-17,21,31H,8-10,12,14,18-20H2,1-5H3
• InChIKey: SSMGTBPZZYREEN-UHFFFAOYSA-N
• XLogP: 8.83
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.65
LogP ≤ 5	8.83
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-methyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrobenzo[h]chromen-6-ol?

The IUPAC name of 2-methyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrobenzo[h]chromen-6-ol (CID 54322296) is 2-methyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrobenzo[h]chromen-6-ol.

What is the SMILES notation for 2-methyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrobenzo[h]chromen-6-ol?

The canonical SMILES for 2-methyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrobenzo[h]chromen-6-ol is CC(C)=CCCC(C)=CCCC(C)=CCCC1(C)CCc2cc(O)c3ccccc3c2O1.

What is the InChIKey of 2-methyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrobenzo[h]chromen-6-ol?

The InChIKey is SSMGTBPZZYREEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40O2/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-19-30(5)20-18-25-21-28(31)26-16-6-7-17-27(26)29(25)32-30/h6-7,11,13,15-17,21,31H,8-10,12,14,18-20H2,1-5H3.

What are the key properties of 2-methyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrobenzo[h]chromen-6-ol?

2-methyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrobenzo[h]chromen-6-ol has a molecular weight of 432.65 g/mol, XLogP of 8.83, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrobenzo[h]chromen-6-ol is sourced from PubChem (CID 54322296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).