[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl] 4-oxopentanoate

C11H20O7 — CID 87103287

IUPAC[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl] 4-oxopentanoate
SMILESCC(=O)CCC(=O)OC(CO)COCC(O)CO
InChIInChI=1S/C11H20O7/c1-8(14)2-3-11(16)18-10(5-13)7-17-6-9(15)4-12/h9-10,12-13,15H,2-7H2,1H3
InChIKeyWRYJNODCSBZSOR-UHFFFAOYSA-N
MW264.27 g/mol
LogP-1.37
Rot. Bonds10

About [1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl] 4-oxopentanoate

[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl] 4-oxopentanoate (PubChem CID 87103287) has the molecular formula C11H20O7 and a molecular weight of 264.27 g/mol. Its IUPAC name is [1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl] 4-oxopentanoate.

Molecular Properties

Compound Name[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl] 4-oxopentanoate
PubChem CID87103287
Molecular FormulaC11H20O7
Molecular Weight264.27 g/mol
Exact Mass264.12
IUPAC Name[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl] 4-oxopentanoate
SMILESCC(=O)CCC(=O)OC(CO)COCC(O)CO
InChIInChI=1S/C11H20O7/c1-8(14)2-3-11(16)18-10(5-13)7-17-6-9(15)4-12/h9-10,12-13,15H,2-7H2,1H3
InChIKeyWRYJNODCSBZSOR-UHFFFAOYSA-N
XLogP-1.37
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl] 4-oxopentanoate 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-hydroxy-2-(4-oxopentanoyloxy)propyl] 4-oxopentanoate
CID 87103100
[(2S)-3-[2,3-bis(4-oxopentanoyloxy)propoxy]-2-(4-oxopentanoyloxy)propyl] 4-oxopentanoate
CID 89340517
[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl] octadec-9-enoate
CID 91034799
acetic acid;3-(2,3-dihydroxypropoxy)propane-1,2-diol
CID 161329261
2,3-dihydroxypropyl 4-oxopentanoate;hydrate
CID 87111192
[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-octadecanoyloxypropoxy]-2-octadecanoyloxypropyl] octadecanoate
CID 72547310
3-(2,3-dihydroxypropoxy)propane-1,2-diol;octan-3-yl hexadecanoate
CID 174492103
5-(2,3-dihydroxypropoxy)pentan-2-one
CID 87130954
[(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] tetradecanoate
CID 59520994
[(2S)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] hexadecanoate
CID 59520981
[(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] pentadecanoate
CID 59520968
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] tetradecanoate
CID 15706014

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl] 4-oxopentanoate?
The IUPAC name of [1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl] 4-oxopentanoate (CID 87103287) is [1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl] 4-oxopentanoate.
What is the SMILES notation for [1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl] 4-oxopentanoate?
The canonical SMILES for [1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl] 4-oxopentanoate is CC(=O)CCC(=O)OC(CO)COCC(O)CO.
What is the InChIKey of [1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl] 4-oxopentanoate?
The InChIKey is WRYJNODCSBZSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O7/c1-8(14)2-3-11(16)18-10(5-13)7-17-6-9(15)4-12/h9-10,12-13,15H,2-7H2,1H3.
What are the key properties of [1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl] 4-oxopentanoate?
[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl] 4-oxopentanoate has a molecular weight of 264.27 g/mol, XLogP of -1.37, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl] 4-oxopentanoate is sourced from PubChem (CID 87103287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).