[(2R)-8-[(2S,3R)-3-hydroxy-5-oxooxolan-2-yl]octan-2-yl] acetate

C14H24O5 — CID 146682966

IUPAC[(2R)-8-[(2S,3R)-3-hydroxy-5-oxooxolan-2-yl]octan-2-yl] acetate
SMILESCC(=O)O[C@H](C)CCCCCC[C@@H]1OC(=O)C[C@H]1O
InChIInChI=1S/C14H24O5/c1-10(18-11(2)15)7-5-3-4-6-8-13-12(16)9-14(17)19-13/h10,12-13,16H,3-9H2,1-2H3/t10-,12-,13+/m1/s1
InChIKeyIGQDYOZGOLHMSZ-RTXFEEFZSA-N
MW272.34 g/mol
LogP1.96
Rot. Bonds8

About [(2R)-8-[(2S,3R)-3-hydroxy-5-oxooxolan-2-yl]octan-2-yl] acetate

[(2R)-8-[(2S,3R)-3-hydroxy-5-oxooxolan-2-yl]octan-2-yl] acetate (PubChem CID 146682966) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is [(2R)-8-[(2S,3R)-3-hydroxy-5-oxooxolan-2-yl]octan-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-8-[(2S,3R)-3-hydroxy-5-oxooxolan-2-yl]octan-2-yl] acetate
PubChem CID146682966
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name[(2R)-8-[(2S,3R)-3-hydroxy-5-oxooxolan-2-yl]octan-2-yl] acetate
SMILESCC(=O)O[C@H](C)CCCCCC[C@@H]1OC(=O)C[C@H]1O
InChIInChI=1S/C14H24O5/c1-10(18-11(2)15)7-5-3-4-6-8-13-12(16)9-14(17)19-13/h10,12-13,16H,3-9H2,1-2H3/t10-,12-,13+/m1/s1
InChIKeyIGQDYOZGOLHMSZ-RTXFEEFZSA-N
XLogP1.96
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2R)-8-[(2S,3R)-3-hydroxy-5-oxooxolan-2-yl]octan-2-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R)-8-[(2S,3R)-3-hydroxy-5-oxooxolan-2-yl]octan-2-yl] acetate?
The IUPAC name of [(2R)-8-[(2S,3R)-3-hydroxy-5-oxooxolan-2-yl]octan-2-yl] acetate (CID 146682966) is [(2R)-8-[(2S,3R)-3-hydroxy-5-oxooxolan-2-yl]octan-2-yl] acetate.
What is the SMILES notation for [(2R)-8-[(2S,3R)-3-hydroxy-5-oxooxolan-2-yl]octan-2-yl] acetate?
The canonical SMILES for [(2R)-8-[(2S,3R)-3-hydroxy-5-oxooxolan-2-yl]octan-2-yl] acetate is CC(=O)O[C@H](C)CCCCCC[C@@H]1OC(=O)C[C@H]1O.
What is the InChIKey of [(2R)-8-[(2S,3R)-3-hydroxy-5-oxooxolan-2-yl]octan-2-yl] acetate?
The InChIKey is IGQDYOZGOLHMSZ-RTXFEEFZSA-N. The full InChI is InChI=1S/C14H24O5/c1-10(18-11(2)15)7-5-3-4-6-8-13-12(16)9-14(17)19-13/h10,12-13,16H,3-9H2,1-2H3/t10-,12-,13+/m1/s1.
What are the key properties of [(2R)-8-[(2S,3R)-3-hydroxy-5-oxooxolan-2-yl]octan-2-yl] acetate?
[(2R)-8-[(2S,3R)-3-hydroxy-5-oxooxolan-2-yl]octan-2-yl] acetate has a molecular weight of 272.34 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-8-[(2S,3R)-3-hydroxy-5-oxooxolan-2-yl]octan-2-yl] acetate is sourced from PubChem (CID 146682966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).