(2-oxooxolan-3-yl) 12-hydroxydodecanoate

C16H28O5 — CID 23597889

IUPAC(2-oxooxolan-3-yl) 12-hydroxydodecanoate
SMILESO=C(CCCCCCCCCCCO)OC1CCOC1=O
InChIInChI=1S/C16H28O5/c17-12-9-7-5-3-1-2-4-6-8-10-15(18)21-14-11-13-20-16(14)19/h14,17H,1-13H2
InChIKeyOSVMOKKHIYVFND-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.74
Rot. Bonds12

About (2-oxooxolan-3-yl) 12-hydroxydodecanoate

(2-oxooxolan-3-yl) 12-hydroxydodecanoate (PubChem CID 23597889) has the molecular formula C16H28O5 and a molecular weight of 300.40 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 12-hydroxydodecanoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 12-hydroxydodecanoate
PubChem CID23597889
Molecular FormulaC16H28O5
Molecular Weight300.40 g/mol
Exact Mass300.19
IUPAC Name(2-oxooxolan-3-yl) 12-hydroxydodecanoate
SMILESO=C(CCCCCCCCCCCO)OC1CCOC1=O
InChIInChI=1S/C16H28O5/c17-12-9-7-5-3-1-2-4-6-8-10-15(18)21-14-11-13-20-16(14)19/h14,17H,1-13H2
InChIKeyOSVMOKKHIYVFND-UHFFFAOYSA-N
XLogP2.74
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.74
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

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CID 22038
Glyceryl Hydroxystearate
CID 102606
Stearoyllactic acid
CID 86677
(2S)-2-(Butyryloxy)-3-hydroxypropyl nonanoate
CID 448271
alpha-Acetoxyoctanoic acid
CID 22420039
Lauroyl lactylate
CID 9951058
Myristoyl lactylic acid
CID 54489487
2-(Hydroxymethyl)-1,4-dioxacyclodotriacontan-5-one
CID 102273958
Hexadecanoic acid, 1-carboxyethyl ester, monoester with 1,2,3-propanetriol
CID 102609
Cladospolide F
CID 122186299
2-Acetoxytetracosanoic acid
CID 14681884
6-hydroxy-4-Undecanolide
CID 56936044

Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 12-hydroxydodecanoate?
The IUPAC name of (2-oxooxolan-3-yl) 12-hydroxydodecanoate (CID 23597889) is (2-oxooxolan-3-yl) 12-hydroxydodecanoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 12-hydroxydodecanoate?
The canonical SMILES for (2-oxooxolan-3-yl) 12-hydroxydodecanoate is O=C(CCCCCCCCCCCO)OC1CCOC1=O.
What is the InChIKey of (2-oxooxolan-3-yl) 12-hydroxydodecanoate?
The InChIKey is OSVMOKKHIYVFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O5/c17-12-9-7-5-3-1-2-4-6-8-10-15(18)21-14-11-13-20-16(14)19/h14,17H,1-13H2.
What are the key properties of (2-oxooxolan-3-yl) 12-hydroxydodecanoate?
(2-oxooxolan-3-yl) 12-hydroxydodecanoate has a molecular weight of 300.40 g/mol, XLogP of 2.74, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 12-hydroxydodecanoate is sourced from PubChem (CID 23597889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).