2-(3-hydroxypentanoyloxy)propyl 3-hydroxypentanoate

C13H24O6 — CID 58301431

IUPAC2-(3-hydroxypentanoyloxy)propyl 3-hydroxypentanoate
SMILESCCC(O)CC(=O)OCC(C)OC(=O)CC(O)CC
InChIInChI=1S/C13H24O6/c1-4-10(14)6-12(16)18-8-9(3)19-13(17)7-11(15)5-2/h9-11,14-15H,4-8H2,1-3H3
InChIKeyMBGWSTQARRKGSG-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.78
Rot. Bonds9

About 2-(3-hydroxypentanoyloxy)propyl 3-hydroxypentanoate

2-(3-hydroxypentanoyloxy)propyl 3-hydroxypentanoate (PubChem CID 58301431) has the molecular formula C13H24O6 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-(3-hydroxypentanoyloxy)propyl 3-hydroxypentanoate.

Molecular Properties

Compound Name2-(3-hydroxypentanoyloxy)propyl 3-hydroxypentanoate
PubChem CID58301431
Molecular FormulaC13H24O6
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name2-(3-hydroxypentanoyloxy)propyl 3-hydroxypentanoate
SMILESCCC(O)CC(=O)OCC(C)OC(=O)CC(O)CC
InChIInChI=1S/C13H24O6/c1-4-10(14)6-12(16)18-8-9(3)19-13(17)7-11(15)5-2/h9-11,14-15H,4-8H2,1-3H3
InChIKeyMBGWSTQARRKGSG-UHFFFAOYSA-N
XLogP0.78
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-bis(3-hydroxypentanoyloxy)propyl 3-hydroxypentanoate
CID 18724217
pentan-3-yl (3S)-3-hydroxypentanoate
CID 11116800
2-hydroxybutyl 3-methylbutanoate
CID 23057192
2-[2-[2-(3-sulfanylbutanoyloxy)propoxy]propoxy]propyl 3-sulfanylbutanoate
CID 87066127
[2-[1-(2-azaniumylacetyl)oxypropan-2-yloxy]-2-oxoethyl]azanium
CID 162453594
bis(2-hydroxybutyl) propanedioate
CID 90337144
2-(2-hydroxybutanoyloxy)propyl 2-hydroxybutanoate
CID 122574253
butan-2-yl 3-hydroxynonanoate
CID 3021445
1-ethoxypropan-2-yl 3-(aminomethyl)pentanoate
CID 103488952
methyl 3-hydroxybutanoate;methyl 3-(3-hydroxybutanoyloxy)pentanoate;methyl 3-hydroxypentanoate
CID 160689312
2-pentadecanoyloxypropyl pentadecanoate
CID 13161518
2-[2-(2-butanoyloxypropoxy)propoxy]propyl butanoate
CID 139914306

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypentanoyloxy)propyl 3-hydroxypentanoate?
The IUPAC name of 2-(3-hydroxypentanoyloxy)propyl 3-hydroxypentanoate (CID 58301431) is 2-(3-hydroxypentanoyloxy)propyl 3-hydroxypentanoate.
What is the SMILES notation for 2-(3-hydroxypentanoyloxy)propyl 3-hydroxypentanoate?
The canonical SMILES for 2-(3-hydroxypentanoyloxy)propyl 3-hydroxypentanoate is CCC(O)CC(=O)OCC(C)OC(=O)CC(O)CC.
What is the InChIKey of 2-(3-hydroxypentanoyloxy)propyl 3-hydroxypentanoate?
The InChIKey is MBGWSTQARRKGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O6/c1-4-10(14)6-12(16)18-8-9(3)19-13(17)7-11(15)5-2/h9-11,14-15H,4-8H2,1-3H3.
What are the key properties of 2-(3-hydroxypentanoyloxy)propyl 3-hydroxypentanoate?
2-(3-hydroxypentanoyloxy)propyl 3-hydroxypentanoate has a molecular weight of 276.33 g/mol, XLogP of 0.78, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypentanoyloxy)propyl 3-hydroxypentanoate is sourced from PubChem (CID 58301431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).