(2R)-5-ethyl-2-heptadecyl-4-hydroxy-2,3-dihydropyran-6-one

C24H44O3 — CID 67689501

IUPAC(2R)-5-ethyl-2-heptadecyl-4-hydroxy-2,3-dihydropyran-6-one
SMILESCCCCCCCCCCCCCCCCC[C@@H]1CC(O)=C(CC)C(=O)O1
InChIInChI=1S/C24H44O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-20-23(25)22(4-2)24(26)27-21/h21,25H,3-20H2,1-2H3/t21-/m1/s1
InChIKeyWUSOOTBQNMZQSV-OAQYLSRUSA-N
MW380.61 g/mol
LogP7.79
Rot. Bonds17

About (2R)-5-ethyl-2-heptadecyl-4-hydroxy-2,3-dihydropyran-6-one

(2R)-5-ethyl-2-heptadecyl-4-hydroxy-2,3-dihydropyran-6-one (PubChem CID 67689501) has the molecular formula C24H44O3 and a molecular weight of 380.61 g/mol. Its IUPAC name is (2R)-5-ethyl-2-heptadecyl-4-hydroxy-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-5-ethyl-2-heptadecyl-4-hydroxy-2,3-dihydropyran-6-one
PubChem CID67689501
Molecular FormulaC24H44O3
Molecular Weight380.61 g/mol
Exact Mass380.33
IUPAC Name(2R)-5-ethyl-2-heptadecyl-4-hydroxy-2,3-dihydropyran-6-one
SMILESCCCCCCCCCCCCCCCCC[C@@H]1CC(O)=C(CC)C(=O)O1
InChIInChI=1S/C24H44O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-20-23(25)22(4-2)24(26)27-21/h21,25H,3-20H2,1-2H3/t21-/m1/s1
InChIKeyWUSOOTBQNMZQSV-OAQYLSRUSA-N
XLogP7.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.61
LogP ≤ 57.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-ethyl-2-heptadecyl-4-hydroxy-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-5-ethyl-2-heptadecyl-4-hydroxy-2,3-dihydropyran-6-one (CID 67689501) is (2R)-5-ethyl-2-heptadecyl-4-hydroxy-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-5-ethyl-2-heptadecyl-4-hydroxy-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-5-ethyl-2-heptadecyl-4-hydroxy-2,3-dihydropyran-6-one is CCCCCCCCCCCCCCCCC[C@@H]1CC(O)=C(CC)C(=O)O1.
What is the InChIKey of (2R)-5-ethyl-2-heptadecyl-4-hydroxy-2,3-dihydropyran-6-one?
The InChIKey is WUSOOTBQNMZQSV-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H44O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-20-23(25)22(4-2)24(26)27-21/h21,25H,3-20H2,1-2H3/t21-/m1/s1.
What are the key properties of (2R)-5-ethyl-2-heptadecyl-4-hydroxy-2,3-dihydropyran-6-one?
(2R)-5-ethyl-2-heptadecyl-4-hydroxy-2,3-dihydropyran-6-one has a molecular weight of 380.61 g/mol, XLogP of 7.79, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-ethyl-2-heptadecyl-4-hydroxy-2,3-dihydropyran-6-one is sourced from PubChem (CID 67689501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).