1-hydroxy-3-(3-hydroxy-2-oxopropoxy)propan-2-one

C6H10O5 — CID 45109796

IUPAC1-hydroxy-3-(3-hydroxy-2-oxopropoxy)propan-2-one
SMILESO=C(CO)COCC(=O)CO
InChIInChI=1S/C6H10O5/c7-1-5(9)3-11-4-6(10)2-8/h7-8H,1-4H2
InChIKeyQNOLVMIVSRVSLI-UHFFFAOYSA-N
MW162.14 g/mol
LogP-1.87
Rot. Bonds6

About 1-hydroxy-3-(3-hydroxy-2-oxopropoxy)propan-2-one

1-hydroxy-3-(3-hydroxy-2-oxopropoxy)propan-2-one (PubChem CID 45109796) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is 1-hydroxy-3-(3-hydroxy-2-oxopropoxy)propan-2-one.

Molecular Properties

Compound Name1-hydroxy-3-(3-hydroxy-2-oxopropoxy)propan-2-one
PubChem CID45109796
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name1-hydroxy-3-(3-hydroxy-2-oxopropoxy)propan-2-one
SMILESO=C(CO)COCC(=O)CO
InChIInChI=1S/C6H10O5/c7-1-5(9)3-11-4-6(10)2-8/h7-8H,1-4H2
InChIKeyQNOLVMIVSRVSLI-UHFFFAOYSA-N
XLogP-1.87
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-1.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-(3-hydroxy-2-oxopropoxy)propan-2-one?
The IUPAC name of 1-hydroxy-3-(3-hydroxy-2-oxopropoxy)propan-2-one (CID 45109796) is 1-hydroxy-3-(3-hydroxy-2-oxopropoxy)propan-2-one.
What is the SMILES notation for 1-hydroxy-3-(3-hydroxy-2-oxopropoxy)propan-2-one?
The canonical SMILES for 1-hydroxy-3-(3-hydroxy-2-oxopropoxy)propan-2-one is O=C(CO)COCC(=O)CO.
What is the InChIKey of 1-hydroxy-3-(3-hydroxy-2-oxopropoxy)propan-2-one?
The InChIKey is QNOLVMIVSRVSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5/c7-1-5(9)3-11-4-6(10)2-8/h7-8H,1-4H2.
What are the key properties of 1-hydroxy-3-(3-hydroxy-2-oxopropoxy)propan-2-one?
1-hydroxy-3-(3-hydroxy-2-oxopropoxy)propan-2-one has a molecular weight of 162.14 g/mol, XLogP of -1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(3-hydroxy-2-oxopropoxy)propan-2-one is sourced from PubChem (CID 45109796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).