(2-hydroxy-3-propanoyloxypropyl) 2-methylbutanoate

C11H20O5 — CID 91017157

IUPAC(2-hydroxy-3-propanoyloxypropyl) 2-methylbutanoate
SMILESCCC(=O)OCC(O)COC(=O)C(C)CC
InChIInChI=1S/C11H20O5/c1-4-8(3)11(14)16-7-9(12)6-15-10(13)5-2/h8-9,12H,4-7H2,1-3H3
InChIKeyBDWLVODKQMICFO-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.89
Rot. Bonds7

About (2-hydroxy-3-propanoyloxypropyl) 2-methylbutanoate

(2-hydroxy-3-propanoyloxypropyl) 2-methylbutanoate (PubChem CID 91017157) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2-hydroxy-3-propanoyloxypropyl) 2-methylbutanoate.

Molecular Properties

Compound Name(2-hydroxy-3-propanoyloxypropyl) 2-methylbutanoate
PubChem CID91017157
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name(2-hydroxy-3-propanoyloxypropyl) 2-methylbutanoate
SMILESCCC(=O)OCC(O)COC(=O)C(C)CC
InChIInChI=1S/C11H20O5/c1-4-8(3)11(14)16-7-9(12)6-15-10(13)5-2/h8-9,12H,4-7H2,1-3H3
InChIKeyBDWLVODKQMICFO-UHFFFAOYSA-N
XLogP0.89
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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

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Related Compounds

[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-(2-methylbutanoyloxy)propoxy]propoxy]propyl] 2-methylbutanoate
CID 131979537
(2-hydroxy-4-methoxy-4-oxobutyl) 2-methylbutanoate
CID 134215716
[2-hydroxy-3-(methylamino)propyl] 2-methylbutanoate
CID 134215870
[2-hydroxy-3-tri(propan-2-yl)silyloxypropyl] propanoate
CID 101178492
[2-hydroxy-3-[5-(2-hydroxy-3-propanoyloxypropoxy)pentoxy]propyl] propanoate
CID 160776856
(2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate
CID 20746567
sodium 2-hydroxy-3-(2-methylbutanoyloxy)propane-1-sulfonate
CID 162453586
(2-methyl-3-oxobutyl) propanoate
CID 87670763
(3-hydroxy-2-methylbutyl) propanoate
CID 54448518
(2-hydroxy-3-propanoyloxypropyl) 2,2-dimethylbutanoate
CID 140925910
2-(2-methylbutanoyloxy)propyl 2-methylbutanoate
CID 57009973
2-hydroxybutyl 3-methylbutanoate
CID 23057192

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-propanoyloxypropyl) 2-methylbutanoate?
The IUPAC name of (2-hydroxy-3-propanoyloxypropyl) 2-methylbutanoate (CID 91017157) is (2-hydroxy-3-propanoyloxypropyl) 2-methylbutanoate.
What is the SMILES notation for (2-hydroxy-3-propanoyloxypropyl) 2-methylbutanoate?
The canonical SMILES for (2-hydroxy-3-propanoyloxypropyl) 2-methylbutanoate is CCC(=O)OCC(O)COC(=O)C(C)CC.
What is the InChIKey of (2-hydroxy-3-propanoyloxypropyl) 2-methylbutanoate?
The InChIKey is BDWLVODKQMICFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-4-8(3)11(14)16-7-9(12)6-15-10(13)5-2/h8-9,12H,4-7H2,1-3H3.
What are the key properties of (2-hydroxy-3-propanoyloxypropyl) 2-methylbutanoate?
(2-hydroxy-3-propanoyloxypropyl) 2-methylbutanoate has a molecular weight of 232.28 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-propanoyloxypropyl) 2-methylbutanoate is sourced from PubChem (CID 91017157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).