[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropyl] decanoate

C19H38O8 — CID 10069221

IUPAC[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropyl] decanoate
SMILESCCCCCCCCCC(=O)OCC(O)COCC(O)COCC(O)CO
InChIInChI=1S/C19H38O8/c1-2-3-4-5-6-7-8-9-19(24)27-15-18(23)14-26-13-17(22)12-25-11-16(21)10-20/h16-18,20-23H,2-15H2,1H3
InChIKeyGAYNVJRUULPNKD-UHFFFAOYSA-N
MW394.51 g/mol
LogP0.78
Rot. Bonds19

About [3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropyl] decanoate

[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropyl] decanoate (PubChem CID 10069221) has the molecular formula C19H38O8 and a molecular weight of 394.51 g/mol. Its IUPAC name is [3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropyl] decanoate.

Molecular Properties

Compound Name[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropyl] decanoate
PubChem CID10069221
Molecular FormulaC19H38O8
Molecular Weight394.51 g/mol
Exact Mass394.26
IUPAC Name[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropyl] decanoate
SMILESCCCCCCCCCC(=O)OCC(O)COCC(O)COCC(O)CO
InChIInChI=1S/C19H38O8/c1-2-3-4-5-6-7-8-9-19(24)27-15-18(23)14-26-13-17(22)12-25-11-16(21)10-20/h16-18,20-23H,2-15H2,1H3
InChIKeyGAYNVJRUULPNKD-UHFFFAOYSA-N
XLogP0.78
TPSA125.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Tricaprylin
CID 10850
Tricaprin
CID 69310
Glyceryl 1-monooctanoate
CID 3033877
Monostearin
CID 24699
Glycol monostearate
CID 24762
Propylene Glycol Monostearate
CID 14878
1-Decanoylglycerol
CID 92926
Sorbitan monooctadecanoate
CID 16218600
Monolaurin
CID 14871
Glyceryl Myristate
CID 79050
Triheptanoin
CID 69286
2-Palmitoylglycerol
CID 123409

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropyl] decanoate?
The IUPAC name of [3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropyl] decanoate (CID 10069221) is [3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropyl] decanoate.
What is the SMILES notation for [3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropyl] decanoate?
The canonical SMILES for [3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropyl] decanoate is CCCCCCCCCC(=O)OCC(O)COCC(O)COCC(O)CO.
What is the InChIKey of [3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropyl] decanoate?
The InChIKey is GAYNVJRUULPNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O8/c1-2-3-4-5-6-7-8-9-19(24)27-15-18(23)14-26-13-17(22)12-25-11-16(21)10-20/h16-18,20-23H,2-15H2,1H3.
What are the key properties of [3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropyl] decanoate?
[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropyl] decanoate has a molecular weight of 394.51 g/mol, XLogP of 0.78, 19 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropyl] decanoate is sourced from PubChem (CID 10069221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).