(5S)-5-[(E,1R)-1,4-dihydroxydec-2-enyl]oxolan-2-one

C14H24O4 — CID 156581266

IUPAC(5S)-5-[(E,1R)-1,4-dihydroxydec-2-enyl]oxolan-2-one
SMILESCCCCCCC(O)/C=C/[C@@H](O)[C@@H]1CCC(=O)O1
InChIInChI=1S/C14H24O4/c1-2-3-4-5-6-11(15)7-8-12(16)13-9-10-14(17)18-13/h7-8,11-13,15-16H,2-6,9-10H2,1H3/b8-7+/t11?,12-,13+/m1/s1
InChIKeyVITKSVJVZYYBTO-SRNBMBNKSA-N
MW256.34 g/mol
LogP1.94
Rot. Bonds8

About (5S)-5-[(E,1R)-1,4-dihydroxydec-2-enyl]oxolan-2-one

(5S)-5-[(E,1R)-1,4-dihydroxydec-2-enyl]oxolan-2-one (PubChem CID 156581266) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is (5S)-5-[(E,1R)-1,4-dihydroxydec-2-enyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(E,1R)-1,4-dihydroxydec-2-enyl]oxolan-2-one
PubChem CID156581266
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name(5S)-5-[(E,1R)-1,4-dihydroxydec-2-enyl]oxolan-2-one
SMILESCCCCCCC(O)/C=C/[C@@H](O)[C@@H]1CCC(=O)O1
InChIInChI=1S/C14H24O4/c1-2-3-4-5-6-11(15)7-8-12(16)13-9-10-14(17)18-13/h7-8,11-13,15-16H,2-6,9-10H2,1H3/b8-7+/t11?,12-,13+/m1/s1
InChIKeyVITKSVJVZYYBTO-SRNBMBNKSA-N
XLogP1.94
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(E,1R)-1,4-dihydroxydec-2-enyl]oxolan-2-one?
The IUPAC name of (5S)-5-[(E,1R)-1,4-dihydroxydec-2-enyl]oxolan-2-one (CID 156581266) is (5S)-5-[(E,1R)-1,4-dihydroxydec-2-enyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(E,1R)-1,4-dihydroxydec-2-enyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(E,1R)-1,4-dihydroxydec-2-enyl]oxolan-2-one is CCCCCCC(O)/C=C/[C@@H](O)[C@@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-[(E,1R)-1,4-dihydroxydec-2-enyl]oxolan-2-one?
The InChIKey is VITKSVJVZYYBTO-SRNBMBNKSA-N. The full InChI is InChI=1S/C14H24O4/c1-2-3-4-5-6-11(15)7-8-12(16)13-9-10-14(17)18-13/h7-8,11-13,15-16H,2-6,9-10H2,1H3/b8-7+/t11?,12-,13+/m1/s1.
What are the key properties of (5S)-5-[(E,1R)-1,4-dihydroxydec-2-enyl]oxolan-2-one?
(5S)-5-[(E,1R)-1,4-dihydroxydec-2-enyl]oxolan-2-one has a molecular weight of 256.34 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(E,1R)-1,4-dihydroxydec-2-enyl]oxolan-2-one is sourced from PubChem (CID 156581266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).