(2R)-2-[(8S)-8,12-dimethyltridecyl]-2,5,7,8-tetramethyl-6-propan-2-yl-3,4-dihydrochromene;ethane

C33H60O — CID 142957328

About (2R)-2-[(8S)-8,12-dimethyltridecyl]-2,5,7,8-tetramethyl-6-propan-2-yl-3,4-dihydrochromene;ethane

(2R)-2-[(8S)-8,12-dimethyltridecyl]-2,5,7,8-tetramethyl-6-propan-2-yl-3,4-dihydrochromene;ethane (PubChem CID 142957328) has the molecular formula C33H60O and a molecular weight of 472.84 g/mol. Its IUPAC name is (2R)-2-[(8S)-8,12-dimethyltridecyl]-2,5,7,8-tetramethyl-6-propan-2-yl-3,4-dihydrochromene;ethane.

Molecular Properties

• Compound Name: (2R)-2-[(8S)-8,12-dimethyltridecyl]-2,5,7,8-tetramethyl-6-propan-2-yl-3,4-dihydrochromene;ethane
• PubChem CID: 142957328
• Molecular Formula: C33H60O
• Molecular Weight: 472.84 g/mol
• Exact Mass: 472.46
• IUPAC Name: (2R)-2-[(8S)-8,12-dimethyltridecyl]-2,5,7,8-tetramethyl-6-propan-2-yl-3,4-dihydrochromene;ethane
• SMILES: CC.Cc1c(C)c(C(C)C)c(C)c2c1O[C@](C)(CCCCCCC[C@H](C)CCCC(C)C)CC2
• InChI: InChI=1S/C31H54O.C2H6/c1-22(2)16-15-18-24(5)17-13-11-10-12-14-20-31(9)21-19-28-27(8)29(23(3)4)25(6)26(7)30(28)32-31;1-2/h22-24H,10-21H2,1-9H3;1-2H3/t24-,31+;/m0./s1
• InChIKey: DOSUEJLTUMGJDN-UXKOITPWSA-N
• XLogP: 11.04
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 13
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.84
LogP ≤ 5	11.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(8S)-8,12-dimethyltridecyl]-2,5,7,8-tetramethyl-6-propan-2-yl-3,4-dihydrochromene;ethane?

The IUPAC name of (2R)-2-[(8S)-8,12-dimethyltridecyl]-2,5,7,8-tetramethyl-6-propan-2-yl-3,4-dihydrochromene;ethane (CID 142957328) is (2R)-2-[(8S)-8,12-dimethyltridecyl]-2,5,7,8-tetramethyl-6-propan-2-yl-3,4-dihydrochromene;ethane.

What is the SMILES notation for (2R)-2-[(8S)-8,12-dimethyltridecyl]-2,5,7,8-tetramethyl-6-propan-2-yl-3,4-dihydrochromene;ethane?

The canonical SMILES for (2R)-2-[(8S)-8,12-dimethyltridecyl]-2,5,7,8-tetramethyl-6-propan-2-yl-3,4-dihydrochromene;ethane is CC.Cc1c(C)c(C(C)C)c(C)c2c1O[C@](C)(CCCCCCC[C@H](C)CCCC(C)C)CC2.

What is the InChIKey of (2R)-2-[(8S)-8,12-dimethyltridecyl]-2,5,7,8-tetramethyl-6-propan-2-yl-3,4-dihydrochromene;ethane?

The InChIKey is DOSUEJLTUMGJDN-UXKOITPWSA-N. The full InChI is InChI=1S/C31H54O.C2H6/c1-22(2)16-15-18-24(5)17-13-11-10-12-14-20-31(9)21-19-28-27(8)29(23(3)4)25(6)26(7)30(28)32-31;1-2/h22-24H,10-21H2,1-9H3;1-2H3/t24-,31+;/m0./s1.

What are the key properties of (2R)-2-[(8S)-8,12-dimethyltridecyl]-2,5,7,8-tetramethyl-6-propan-2-yl-3,4-dihydrochromene;ethane?

(2R)-2-[(8S)-8,12-dimethyltridecyl]-2,5,7,8-tetramethyl-6-propan-2-yl-3,4-dihydrochromene;ethane has a molecular weight of 472.84 g/mol, XLogP of 11.04, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(8S)-8,12-dimethyltridecyl]-2,5,7,8-tetramethyl-6-propan-2-yl-3,4-dihydrochromene;ethane is sourced from PubChem (CID 142957328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).