(2R)-2-[(3E,7E,11E,13R)-13-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol

C32H48O3 — CID 102351627

IUPAC(2R)-2-[(3E,7E,11E,13R)-13-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol
SMILESCC(C)=CC[C@@H](O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1
InChIInChI=1S/C32H48O3/c1-23(2)16-17-30(34)26(5)15-9-13-24(3)11-8-12-25(4)14-10-19-32(7)20-18-28-22-29(33)21-27(6)31(28)35-32/h11,14-16,21-22,30,33-34H,8-10,12-13,17-20H2,1-7H3/b24-11+,25-14+,26-15+/t30-,32-/m1/s1
InChIKeyOFUOJNKMLJESTP-PHLGIVGQSA-N
MW480.73 g/mol
LogP8.68
Rot. Bonds12

About (2R)-2-[(3E,7E,11E,13R)-13-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol

(2R)-2-[(3E,7E,11E,13R)-13-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol (PubChem CID 102351627) has the molecular formula C32H48O3 and a molecular weight of 480.73 g/mol. Its IUPAC name is (2R)-2-[(3E,7E,11E,13R)-13-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name(2R)-2-[(3E,7E,11E,13R)-13-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol
PubChem CID102351627
Molecular FormulaC32H48O3
Molecular Weight480.73 g/mol
Exact Mass480.36
IUPAC Name(2R)-2-[(3E,7E,11E,13R)-13-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol
SMILESCC(C)=CC[C@@H](O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1
InChIInChI=1S/C32H48O3/c1-23(2)16-17-30(34)26(5)15-9-13-24(3)11-8-12-25(4)14-10-19-32(7)20-18-28-22-29(33)21-27(6)31(28)35-32/h11,14-16,21-22,30,33-34H,8-10,12-13,17-20H2,1-7H3/b24-11+,25-14+,26-15+/t30-,32-/m1/s1
InChIKeyOFUOJNKMLJESTP-PHLGIVGQSA-N
XLogP8.68
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.73
LogP ≤ 58.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-[(3E,7E,11E,13R)-13-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3E,7E,11E,13R)-13-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol?
The IUPAC name of (2R)-2-[(3E,7E,11E,13R)-13-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol (CID 102351627) is (2R)-2-[(3E,7E,11E,13R)-13-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol.
What is the SMILES notation for (2R)-2-[(3E,7E,11E,13R)-13-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol?
The canonical SMILES for (2R)-2-[(3E,7E,11E,13R)-13-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol is CC(C)=CC[C@@H](O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1.
What is the InChIKey of (2R)-2-[(3E,7E,11E,13R)-13-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol?
The InChIKey is OFUOJNKMLJESTP-PHLGIVGQSA-N. The full InChI is InChI=1S/C32H48O3/c1-23(2)16-17-30(34)26(5)15-9-13-24(3)11-8-12-25(4)14-10-19-32(7)20-18-28-22-29(33)21-27(6)31(28)35-32/h11,14-16,21-22,30,33-34H,8-10,12-13,17-20H2,1-7H3/b24-11+,25-14+,26-15+/t30-,32-/m1/s1.
What are the key properties of (2R)-2-[(3E,7E,11E,13R)-13-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol?
(2R)-2-[(3E,7E,11E,13R)-13-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol has a molecular weight of 480.73 g/mol, XLogP of 8.68, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3E,7E,11E,13R)-13-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 102351627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).