2-(2-hydroxybutanoyloxy)propyl 2-hydroxybutanoate

C11H20O6 — CID 122574253

IUPAC2-(2-hydroxybutanoyloxy)propyl 2-hydroxybutanoate
SMILESCCC(O)C(=O)OCC(C)OC(=O)C(O)CC
InChIInChI=1S/C11H20O6/c1-4-8(12)10(14)16-6-7(3)17-11(15)9(13)5-2/h7-9,12-13H,4-6H2,1-3H3
InChIKeyLLVIDKXPHPHPJM-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.00
Rot. Bonds7

About 2-(2-hydroxybutanoyloxy)propyl 2-hydroxybutanoate

2-(2-hydroxybutanoyloxy)propyl 2-hydroxybutanoate (PubChem CID 122574253) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is 2-(2-hydroxybutanoyloxy)propyl 2-hydroxybutanoate.

Molecular Properties

Compound Name2-(2-hydroxybutanoyloxy)propyl 2-hydroxybutanoate
PubChem CID122574253
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name2-(2-hydroxybutanoyloxy)propyl 2-hydroxybutanoate
SMILESCCC(O)C(=O)OCC(C)OC(=O)C(O)CC
InChIInChI=1S/C11H20O6/c1-4-8(12)10(14)16-6-7(3)17-11(15)9(13)5-2/h7-9,12-13H,4-6H2,1-3H3
InChIKeyLLVIDKXPHPHPJM-UHFFFAOYSA-N
XLogP0.00
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethane-1,2-diol;2-(2-hydroxybutanoyloxy)propyl 2-hydroxybutanoate
CID 122574252
2-(2-methylbutanoyloxy)propyl 2-methylbutanoate
CID 57009973
ethyl 2-hydroxybutanoate
CID 521365
2-[2-[2-(2-hydroxypropanoyloxy)propoxy]propoxy]propyl 2-hydroxypropanoate
CID 87122386
butan-2-yl 4-amino-2-hydroxybutanoate
CID 107837492
1-methoxypropan-2-yl (2S)-3-amino-2-hydroxypropanoate
CID 107837627
butan-2-yl (2R,3R)-3-hydroxy-2-methylbutanoate
CID 57119421
3-methylbutyl 2-hydroxybutanoate
CID 14923813
2-(3-hydroxypentanoyloxy)propyl 3-hydroxypentanoate
CID 58301431
2-methylpropyl 2,3-dihydroxypropanoate
CID 87068517
CID 175808043
CID 175808043
dibutan-2-yl 2,3-dimethylbutanedioate
CID 582100

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxybutanoyloxy)propyl 2-hydroxybutanoate?
The IUPAC name of 2-(2-hydroxybutanoyloxy)propyl 2-hydroxybutanoate (CID 122574253) is 2-(2-hydroxybutanoyloxy)propyl 2-hydroxybutanoate.
What is the SMILES notation for 2-(2-hydroxybutanoyloxy)propyl 2-hydroxybutanoate?
The canonical SMILES for 2-(2-hydroxybutanoyloxy)propyl 2-hydroxybutanoate is CCC(O)C(=O)OCC(C)OC(=O)C(O)CC.
What is the InChIKey of 2-(2-hydroxybutanoyloxy)propyl 2-hydroxybutanoate?
The InChIKey is LLVIDKXPHPHPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O6/c1-4-8(12)10(14)16-6-7(3)17-11(15)9(13)5-2/h7-9,12-13H,4-6H2,1-3H3.
What are the key properties of 2-(2-hydroxybutanoyloxy)propyl 2-hydroxybutanoate?
2-(2-hydroxybutanoyloxy)propyl 2-hydroxybutanoate has a molecular weight of 248.27 g/mol, XLogP of 0.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxybutanoyloxy)propyl 2-hydroxybutanoate is sourced from PubChem (CID 122574253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).