[3-hydroxy-2-(4-oxopentanoyloxy)propyl] 4-oxopentanoate

C13H20O7 — CID 87103100

IUPAC[3-hydroxy-2-(4-oxopentanoyloxy)propyl] 4-oxopentanoate
SMILESCC(=O)CCC(=O)OCC(CO)OC(=O)CCC(C)=O
InChIInChI=1S/C13H20O7/c1-9(15)3-5-12(17)19-8-11(7-14)20-13(18)6-4-10(2)16/h11,14H,3-8H2,1-2H3
InChIKeyILWVFNNXAHVFCW-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.17
Rot. Bonds10

About [3-hydroxy-2-(4-oxopentanoyloxy)propyl] 4-oxopentanoate

[3-hydroxy-2-(4-oxopentanoyloxy)propyl] 4-oxopentanoate (PubChem CID 87103100) has the molecular formula C13H20O7 and a molecular weight of 288.30 g/mol. Its IUPAC name is [3-hydroxy-2-(4-oxopentanoyloxy)propyl] 4-oxopentanoate.

Molecular Properties

Compound Name[3-hydroxy-2-(4-oxopentanoyloxy)propyl] 4-oxopentanoate
PubChem CID87103100
Molecular FormulaC13H20O7
Molecular Weight288.30 g/mol
Exact Mass288.12
IUPAC Name[3-hydroxy-2-(4-oxopentanoyloxy)propyl] 4-oxopentanoate
SMILESCC(=O)CCC(=O)OCC(CO)OC(=O)CCC(C)=O
InChIInChI=1S/C13H20O7/c1-9(15)3-5-12(17)19-8-11(7-14)20-13(18)6-4-10(2)16/h11,14H,3-8H2,1-2H3
InChIKeyILWVFNNXAHVFCW-UHFFFAOYSA-N
XLogP0.17
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S)-3-[2,3-bis(4-oxopentanoyloxy)propoxy]-2-(4-oxopentanoyloxy)propyl] 4-oxopentanoate
CID 89340517
[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl] 4-oxopentanoate
CID 87103287
[(2S)-1-hydroxy-3-octadecanoyloxypropan-2-yl] tetracosanoate
CID 53478055
(1-hydroxy-3-octanoyloxypropan-2-yl) hexadecanoate
CID 54561107
[(2R)-2-hexanoyloxy-3-hydroxypropyl] hexadecanoate
CID 102241537
(1-heptanoyloxy-3-hydroxypropan-2-yl) octadecanoate
CID 138123365
(1-heptanoyloxy-3-hydroxypropan-2-yl) icosanoate
CID 138314263
[(2S)-1-hydroxy-3-octadecanoyloxypropan-2-yl] tricosanoate
CID 134782423
[(2S)-1-heptanoyloxy-3-hydroxypropan-2-yl] undecanoate
CID 154815628
[(2S)-3-hydroxy-2-undecanoyloxypropyl] nonadecanoate
CID 134724222
[(2R)-2-dodecanoyloxy-3-hydroxypropyl] octadecanoate
CID 98117757
(1-butanoyloxy-3-hydroxypropan-2-yl) pentanoate
CID 138258727

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-2-(4-oxopentanoyloxy)propyl] 4-oxopentanoate?
The IUPAC name of [3-hydroxy-2-(4-oxopentanoyloxy)propyl] 4-oxopentanoate (CID 87103100) is [3-hydroxy-2-(4-oxopentanoyloxy)propyl] 4-oxopentanoate.
What is the SMILES notation for [3-hydroxy-2-(4-oxopentanoyloxy)propyl] 4-oxopentanoate?
The canonical SMILES for [3-hydroxy-2-(4-oxopentanoyloxy)propyl] 4-oxopentanoate is CC(=O)CCC(=O)OCC(CO)OC(=O)CCC(C)=O.
What is the InChIKey of [3-hydroxy-2-(4-oxopentanoyloxy)propyl] 4-oxopentanoate?
The InChIKey is ILWVFNNXAHVFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O7/c1-9(15)3-5-12(17)19-8-11(7-14)20-13(18)6-4-10(2)16/h11,14H,3-8H2,1-2H3.
What are the key properties of [3-hydroxy-2-(4-oxopentanoyloxy)propyl] 4-oxopentanoate?
[3-hydroxy-2-(4-oxopentanoyloxy)propyl] 4-oxopentanoate has a molecular weight of 288.30 g/mol, XLogP of 0.17, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-2-(4-oxopentanoyloxy)propyl] 4-oxopentanoate is sourced from PubChem (CID 87103100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).