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

C5H10O4 — CID 57035890

IUPAC1-hydroxy-3-(2-hydroxyethoxy)propan-2-one
SMILESO=C(CO)COCCO
InChIInChI=1S/C5H10O4/c6-1-2-9-4-5(8)3-7/h6-7H,1-4H2
InChIKeyZSYOLLAXYOSTMH-UHFFFAOYSA-N
MW134.13 g/mol
LogP-1.44
Rot. Bonds5

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

1-hydroxy-3-(2-hydroxyethoxy)propan-2-one (PubChem CID 57035890) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is 1-hydroxy-3-(2-hydroxyethoxy)propan-2-one.

Molecular Properties

Compound Name1-hydroxy-3-(2-hydroxyethoxy)propan-2-one
PubChem CID57035890
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Name1-hydroxy-3-(2-hydroxyethoxy)propan-2-one
SMILESO=C(CO)COCCO
InChIInChI=1S/C5H10O4/c6-1-2-9-4-5(8)3-7/h6-7H,1-4H2
InChIKeyZSYOLLAXYOSTMH-UHFFFAOYSA-N
XLogP-1.44
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-(2-hydroxyethoxy)propan-2-one?
The IUPAC name of 1-hydroxy-3-(2-hydroxyethoxy)propan-2-one (CID 57035890) is 1-hydroxy-3-(2-hydroxyethoxy)propan-2-one.
What is the SMILES notation for 1-hydroxy-3-(2-hydroxyethoxy)propan-2-one?
The canonical SMILES for 1-hydroxy-3-(2-hydroxyethoxy)propan-2-one is O=C(CO)COCCO.
What is the InChIKey of 1-hydroxy-3-(2-hydroxyethoxy)propan-2-one?
The InChIKey is ZSYOLLAXYOSTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4/c6-1-2-9-4-5(8)3-7/h6-7H,1-4H2.
What are the key properties of 1-hydroxy-3-(2-hydroxyethoxy)propan-2-one?
1-hydroxy-3-(2-hydroxyethoxy)propan-2-one has a molecular weight of 134.13 g/mol, XLogP of -1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(2-hydroxyethoxy)propan-2-one is sourced from PubChem (CID 57035890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).