2,3-dihydroxypropyl 5-hydroxydecanoate

C13H26O5 — CID 5463954

IUPAC2,3-dihydroxypropyl 5-hydroxydecanoate
SMILESCCCCCC(O)CCCC(=O)OCC(O)CO
InChIInChI=1S/C13H26O5/c1-2-3-4-6-11(15)7-5-8-13(17)18-10-12(16)9-14/h11-12,14-16H,2-10H2,1H3
InChIKeyILJDYMFZBMWGGZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP0.99
Rot. Bonds11

About 2,3-dihydroxypropyl 5-hydroxydecanoate

2,3-dihydroxypropyl 5-hydroxydecanoate (PubChem CID 5463954) has the molecular formula C13H26O5 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 5-hydroxydecanoate.

Molecular Properties

Compound Name2,3-dihydroxypropyl 5-hydroxydecanoate
PubChem CID5463954
Molecular FormulaC13H26O5
Molecular Weight262.35 g/mol
Exact Mass262.18
IUPAC Name2,3-dihydroxypropyl 5-hydroxydecanoate
SMILESCCCCCC(O)CCCC(=O)OCC(O)CO
InChIInChI=1S/C13H26O5/c1-2-3-4-6-11(15)7-5-8-13(17)18-10-12(16)9-14/h11-12,14-16H,2-10H2,1H3
InChIKeyILJDYMFZBMWGGZ-UHFFFAOYSA-N
XLogP0.99
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.99
H-Bond Donors ≤ 53
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
Monostearin
CID 24699
1-Decanoylglycerol
CID 92926
Sorbitan monooctadecanoate
CID 16218600
Monolaurin
CID 14871
Glyceryl Myristate
CID 79050
2-Palmitoylglycerol
CID 123409
Polyoxyethylene sorbitan monostearate
CID 22833389
Sorbitan monododecanoate
CID 11046239
1-Monopalmitin
CID 14900
1-Palmitoyl-sn-glycerol
CID 3084463
Glyceryl Monobehenate
CID 5362585

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 5-hydroxydecanoate?
The IUPAC name of 2,3-dihydroxypropyl 5-hydroxydecanoate (CID 5463954) is 2,3-dihydroxypropyl 5-hydroxydecanoate.
What is the SMILES notation for 2,3-dihydroxypropyl 5-hydroxydecanoate?
The canonical SMILES for 2,3-dihydroxypropyl 5-hydroxydecanoate is CCCCCC(O)CCCC(=O)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl 5-hydroxydecanoate?
The InChIKey is ILJDYMFZBMWGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5/c1-2-3-4-6-11(15)7-5-8-13(17)18-10-12(16)9-14/h11-12,14-16H,2-10H2,1H3.
What are the key properties of 2,3-dihydroxypropyl 5-hydroxydecanoate?
2,3-dihydroxypropyl 5-hydroxydecanoate has a molecular weight of 262.35 g/mol, XLogP of 0.99, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl 5-hydroxydecanoate is sourced from PubChem (CID 5463954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).