[(2R)-4-(5-oxooxolan-2-yl)butan-2-yl] (E,4S,7R)-4,7-dihydroxyoct-2-enoate

C16H26O6 — CID 25067847

IUPAC[(2R)-4-(5-oxooxolan-2-yl)butan-2-yl] (E,4S,7R)-4,7-dihydroxyoct-2-enoate
SMILESC[C@H](CCC1CCC(=O)O1)OC(=O)/C=C/[C@@H](O)CC[C@@H](C)O
InChIInChI=1S/C16H26O6/c1-11(17)3-5-13(18)6-9-15(19)21-12(2)4-7-14-8-10-16(20)22-14/h6,9,11-14,17-18H,3-5,7-8,10H2,1-2H3/b9-6+/t11-,12-,13+,14?/m1/s1
InChIKeyHSLXLDSMIZABMH-LAXLTLLHSA-N
MW314.38 g/mol
LogP1.48
Rot. Bonds9

About [(2R)-4-(5-oxooxolan-2-yl)butan-2-yl] (E,4S,7R)-4,7-dihydroxyoct-2-enoate

[(2R)-4-(5-oxooxolan-2-yl)butan-2-yl] (E,4S,7R)-4,7-dihydroxyoct-2-enoate (PubChem CID 25067847) has the molecular formula C16H26O6 and a molecular weight of 314.38 g/mol. Its IUPAC name is [(2R)-4-(5-oxooxolan-2-yl)butan-2-yl] (E,4S,7R)-4,7-dihydroxyoct-2-enoate.

Molecular Properties

Compound Name[(2R)-4-(5-oxooxolan-2-yl)butan-2-yl] (E,4S,7R)-4,7-dihydroxyoct-2-enoate
PubChem CID25067847
Molecular FormulaC16H26O6
Molecular Weight314.38 g/mol
Exact Mass314.17
IUPAC Name[(2R)-4-(5-oxooxolan-2-yl)butan-2-yl] (E,4S,7R)-4,7-dihydroxyoct-2-enoate
SMILESC[C@H](CCC1CCC(=O)O1)OC(=O)/C=C/[C@@H](O)CC[C@@H](C)O
InChIInChI=1S/C16H26O6/c1-11(17)3-5-13(18)6-9-15(19)21-12(2)4-7-14-8-10-16(20)22-14/h6,9,11-14,17-18H,3-5,7-8,10H2,1-2H3/b9-6+/t11-,12-,13+,14?/m1/s1
InChIKeyHSLXLDSMIZABMH-LAXLTLLHSA-N
XLogP1.48
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [(2R)-4-(5-oxooxolan-2-yl)butan-2-yl] (E,4S,7R)-4,7-dihydroxyoct-2-enoate 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)-4-(5-oxooxolan-2-yl)butan-2-yl] (E,4S,7R)-4,7-dihydroxyoct-2-enoate?
The IUPAC name of [(2R)-4-(5-oxooxolan-2-yl)butan-2-yl] (E,4S,7R)-4,7-dihydroxyoct-2-enoate (CID 25067847) is [(2R)-4-(5-oxooxolan-2-yl)butan-2-yl] (E,4S,7R)-4,7-dihydroxyoct-2-enoate.
What is the SMILES notation for [(2R)-4-(5-oxooxolan-2-yl)butan-2-yl] (E,4S,7R)-4,7-dihydroxyoct-2-enoate?
The canonical SMILES for [(2R)-4-(5-oxooxolan-2-yl)butan-2-yl] (E,4S,7R)-4,7-dihydroxyoct-2-enoate is C[C@H](CCC1CCC(=O)O1)OC(=O)/C=C/[C@@H](O)CC[C@@H](C)O.
What is the InChIKey of [(2R)-4-(5-oxooxolan-2-yl)butan-2-yl] (E,4S,7R)-4,7-dihydroxyoct-2-enoate?
The InChIKey is HSLXLDSMIZABMH-LAXLTLLHSA-N. The full InChI is InChI=1S/C16H26O6/c1-11(17)3-5-13(18)6-9-15(19)21-12(2)4-7-14-8-10-16(20)22-14/h6,9,11-14,17-18H,3-5,7-8,10H2,1-2H3/b9-6+/t11-,12-,13+,14?/m1/s1.
What are the key properties of [(2R)-4-(5-oxooxolan-2-yl)butan-2-yl] (E,4S,7R)-4,7-dihydroxyoct-2-enoate?
[(2R)-4-(5-oxooxolan-2-yl)butan-2-yl] (E,4S,7R)-4,7-dihydroxyoct-2-enoate has a molecular weight of 314.38 g/mol, XLogP of 1.48, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-(5-oxooxolan-2-yl)butan-2-yl] (E,4S,7R)-4,7-dihydroxyoct-2-enoate is sourced from PubChem (CID 25067847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).