Vitamin e succinate

C₃₃H₅₄O₅ — CID 20353

About Vitamin e succinate

Vitamin e succinate (PubChem CID 20353) has the molecular formula C₃₃H₅₄O₅ and a molecular weight of 530.79 g/mol. Its IUPAC name is 4-oxo-4-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]butanoic acid.

Molecular Properties

• Compound Name: Vitamin e succinate
• PubChem CID: 20353
• Molecular Formula: C₃₃H₅₄O₅
• Molecular Weight: 530.79 g/mol
• Exact Mass: 530.40
• IUPAC Name: 4-oxo-4-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]butanoic acid
• SMILES: Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
• InChI: InChI=1S/C33H54O5/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-33(8)21-19-28-27(7)31(25(5)26(6)32(28)38-33)37-30(36)18-17-29(34)35/h22-24H,9-21H2,1-8H3,(H,34,35)/t23-,24-,33-/m1/s1
• InChIKey: IELOKBJPULMYRW-NJQVLOCASA-N
• XLogP: 8.90
• TPSA: 72.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.79
LogP ≤ 5	8.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Vitamin e succinate?

The IUPAC name of Vitamin e succinate (CID 20353) is 4-oxo-4-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]butanoic acid.

What is the SMILES notation for Vitamin e succinate?

The canonical SMILES for Vitamin e succinate is Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2.

What is the InChIKey of Vitamin e succinate?

The InChIKey is IELOKBJPULMYRW-NJQVLOCASA-N. The full InChI is InChI=1S/C33H54O5/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-33(8)21-19-28-27(7)31(25(5)26(6)32(28)38-33)37-30(36)18-17-29(34)35/h22-24H,9-21H2,1-8H3,(H,34,35)/t23-,24-,33-/m1/s1.

What are the key properties of Vitamin e succinate?

Vitamin e succinate has a molecular weight of 530.79 g/mol, XLogP of 8.90, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Vitamin e succinate is sourced from PubChem (CID 20353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 20353 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2690 — approved-drug record (CC BY-SA 4.0)

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