(2-oxooxolan-3-yl) 10-hydroxydecanoate

C14H24O5 — CID 23597890

IUPAC(2-oxooxolan-3-yl) 10-hydroxydecanoate
SMILESO=C(CCCCCCCCCO)OC1CCOC1=O
InChIInChI=1S/C14H24O5/c15-10-7-5-3-1-2-4-6-8-13(16)19-12-9-11-18-14(12)17/h12,15H,1-11H2
InChIKeyPLSXUMBSRAPUIZ-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.96
Rot. Bonds10

About (2-oxooxolan-3-yl) 10-hydroxydecanoate

(2-oxooxolan-3-yl) 10-hydroxydecanoate (PubChem CID 23597890) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 10-hydroxydecanoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 10-hydroxydecanoate
PubChem CID23597890
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name(2-oxooxolan-3-yl) 10-hydroxydecanoate
SMILESO=C(CCCCCCCCCO)OC1CCOC1=O
InChIInChI=1S/C14H24O5/c15-10-7-5-3-1-2-4-6-8-13(16)19-12-9-11-18-14(12)17/h12,15H,1-11H2
InChIKeyPLSXUMBSRAPUIZ-UHFFFAOYSA-N
XLogP1.96
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
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'}

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Related Compounds

Glyceryl 1-monooctanoate
CID 3033877
1-Decanoylglycerol
CID 92926
Monolaurin
CID 14871
Glyceryl Hydroxystearate
CID 102606
2-Monolaurin
CID 74297
Polyglyceryl-2 Caprylate
CID 9882524
Decanoic acid, ester with triglycerol trioctanoate
CID 3085401
(2R)-2,3-dihydroxypropyl dodecanoate
CID 71598538
1-Dodecanoyl-sn-glycerol
CID 656773
3-Octanoyl-sn-glycerol
CID 46926551
1-Octanoyl-sn-glycerol
CID 3085369
2,3-Dihydroxypropyl nonanoate
CID 102931

Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 10-hydroxydecanoate?
The IUPAC name of (2-oxooxolan-3-yl) 10-hydroxydecanoate (CID 23597890) is (2-oxooxolan-3-yl) 10-hydroxydecanoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 10-hydroxydecanoate?
The canonical SMILES for (2-oxooxolan-3-yl) 10-hydroxydecanoate is O=C(CCCCCCCCCO)OC1CCOC1=O.
What is the InChIKey of (2-oxooxolan-3-yl) 10-hydroxydecanoate?
The InChIKey is PLSXUMBSRAPUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c15-10-7-5-3-1-2-4-6-8-13(16)19-12-9-11-18-14(12)17/h12,15H,1-11H2.
What are the key properties of (2-oxooxolan-3-yl) 10-hydroxydecanoate?
(2-oxooxolan-3-yl) 10-hydroxydecanoate has a molecular weight of 272.34 g/mol, XLogP of 1.96, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 10-hydroxydecanoate is sourced from PubChem (CID 23597890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).