[2-(acetyloxymethyl)-3-hydroxypropyl] pentanoate

C11H20O5 — CID 175693078

IUPAC[2-(acetyloxymethyl)-3-hydroxypropyl] pentanoate
SMILESCCCCC(=O)OCC(CO)COC(C)=O
InChIInChI=1S/C11H20O5/c1-3-4-5-11(14)16-8-10(6-12)7-15-9(2)13/h10,12H,3-8H2,1-2H3
InChIKeyCPHVIWASGHQNHP-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.89
Rot. Bonds8

About [2-(acetyloxymethyl)-3-hydroxypropyl] pentanoate

[2-(acetyloxymethyl)-3-hydroxypropyl] pentanoate (PubChem CID 175693078) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is [2-(acetyloxymethyl)-3-hydroxypropyl] pentanoate.

Molecular Properties

Compound Name[2-(acetyloxymethyl)-3-hydroxypropyl] pentanoate
PubChem CID175693078
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name[2-(acetyloxymethyl)-3-hydroxypropyl] pentanoate
SMILESCCCCC(=O)OCC(CO)COC(C)=O
InChIInChI=1S/C11H20O5/c1-3-4-5-11(14)16-8-10(6-12)7-15-9(2)13/h10,12H,3-8H2,1-2H3
InChIKeyCPHVIWASGHQNHP-UHFFFAOYSA-N
XLogP0.89
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(acetyloxymethyl)-3-hydroxypropyl] pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-heptanoyloxy-2-(heptanoyloxymethyl)propyl] heptanoate
CID 102240307
[(2S)-2-(hydroxymethyl)butyl] acetate
CID 58892806
[3-hydroxy-2-(hydroxymethyl)propyl] (Z)-hexadec-9-enoate
CID 172639333
[(2S)-2,3-diacetyloxypropyl] octadecanoate
CID 97041702
(1-acetyloxy-3-hydroxypropan-2-yl) dodecanoate
CID 14451250
(1-acetyloxy-3-hydroxypropan-2-yl) henicosanoate
CID 138248511
(1-acetyloxy-3-hydroxypropan-2-yl) docosanoate
CID 138137930
2-ethylbutyl hexanoate;formaldehyde
CID 156639908
2-hexyldecyl hexadecanoate
CID 3017919
[(2S)-2-octyldodecyl] octadecanoate
CID 73415853
[(2R)-2-hexadecylicosyl] octanoate
CID 98094426
2-tetradecyloctadecyl hexadecanoate
CID 3023956

Frequently Asked Questions

What is the IUPAC name of [2-(acetyloxymethyl)-3-hydroxypropyl] pentanoate?
The IUPAC name of [2-(acetyloxymethyl)-3-hydroxypropyl] pentanoate (CID 175693078) is [2-(acetyloxymethyl)-3-hydroxypropyl] pentanoate.
What is the SMILES notation for [2-(acetyloxymethyl)-3-hydroxypropyl] pentanoate?
The canonical SMILES for [2-(acetyloxymethyl)-3-hydroxypropyl] pentanoate is CCCCC(=O)OCC(CO)COC(C)=O.
What is the InChIKey of [2-(acetyloxymethyl)-3-hydroxypropyl] pentanoate?
The InChIKey is CPHVIWASGHQNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-3-4-5-11(14)16-8-10(6-12)7-15-9(2)13/h10,12H,3-8H2,1-2H3.
What are the key properties of [2-(acetyloxymethyl)-3-hydroxypropyl] pentanoate?
[2-(acetyloxymethyl)-3-hydroxypropyl] pentanoate has a molecular weight of 232.28 g/mol, XLogP of 0.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(acetyloxymethyl)-3-hydroxypropyl] pentanoate is sourced from PubChem (CID 175693078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).