2,3-dihydroxypropyl 2-[5-(2-oxopropyl)oxolan-2-yl]propanoate

C13H22O6 — CID 44715247

IUPAC2,3-dihydroxypropyl 2-[5-(2-oxopropyl)oxolan-2-yl]propanoate
SMILESCC(=O)CC1CCC(C(C)C(=O)OCC(O)CO)O1
InChIInChI=1S/C13H22O6/c1-8(15)5-11-3-4-12(19-11)9(2)13(17)18-7-10(16)6-14/h9-12,14,16H,3-7H2,1-2H3
InChIKeyMPUKHERSKPLKHP-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.05
Rot. Bonds7

About 2,3-dihydroxypropyl 2-[5-(2-oxopropyl)oxolan-2-yl]propanoate

2,3-dihydroxypropyl 2-[5-(2-oxopropyl)oxolan-2-yl]propanoate (PubChem CID 44715247) has the molecular formula C13H22O6 and a molecular weight of 274.31 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 2-[5-(2-oxopropyl)oxolan-2-yl]propanoate.

Molecular Properties

Compound Name2,3-dihydroxypropyl 2-[5-(2-oxopropyl)oxolan-2-yl]propanoate
PubChem CID44715247
Molecular FormulaC13H22O6
Molecular Weight274.31 g/mol
Exact Mass274.14
IUPAC Name2,3-dihydroxypropyl 2-[5-(2-oxopropyl)oxolan-2-yl]propanoate
SMILESCC(=O)CC1CCC(C(C)C(=O)OCC(O)CO)O1
InChIInChI=1S/C13H22O6/c1-8(15)5-11-3-4-12(19-11)9(2)13(17)18-7-10(16)6-14/h9-12,14,16H,3-7H2,1-2H3
InChIKeyMPUKHERSKPLKHP-UHFFFAOYSA-N
XLogP0.05
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 2-[5-(2-oxopropyl)oxolan-2-yl]propanoate?
The IUPAC name of 2,3-dihydroxypropyl 2-[5-(2-oxopropyl)oxolan-2-yl]propanoate (CID 44715247) is 2,3-dihydroxypropyl 2-[5-(2-oxopropyl)oxolan-2-yl]propanoate.
What is the SMILES notation for 2,3-dihydroxypropyl 2-[5-(2-oxopropyl)oxolan-2-yl]propanoate?
The canonical SMILES for 2,3-dihydroxypropyl 2-[5-(2-oxopropyl)oxolan-2-yl]propanoate is CC(=O)CC1CCC(C(C)C(=O)OCC(O)CO)O1.
What is the InChIKey of 2,3-dihydroxypropyl 2-[5-(2-oxopropyl)oxolan-2-yl]propanoate?
The InChIKey is MPUKHERSKPLKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O6/c1-8(15)5-11-3-4-12(19-11)9(2)13(17)18-7-10(16)6-14/h9-12,14,16H,3-7H2,1-2H3.
What are the key properties of 2,3-dihydroxypropyl 2-[5-(2-oxopropyl)oxolan-2-yl]propanoate?
2,3-dihydroxypropyl 2-[5-(2-oxopropyl)oxolan-2-yl]propanoate has a molecular weight of 274.31 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl 2-[5-(2-oxopropyl)oxolan-2-yl]propanoate is sourced from PubChem (CID 44715247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).