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

C5H10O3 — CID 57249155

IUPAC1-(1-hydroxyethoxy)propan-2-one
SMILESCC(=O)COC(C)O
InChIInChI=1S/C5H10O3/c1-4(6)3-8-5(2)7/h5,7H,3H2,1-2H3
InChIKeySGYALPVDVURPMA-UHFFFAOYSA-N
MW118.13 g/mol
LogP-0.07
Rot. Bonds3

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

1-(1-hydroxyethoxy)propan-2-one (PubChem CID 57249155) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is 1-(1-hydroxyethoxy)propan-2-one.

Molecular Properties

Compound Name1-(1-hydroxyethoxy)propan-2-one
PubChem CID57249155
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name1-(1-hydroxyethoxy)propan-2-one
SMILESCC(=O)COC(C)O
InChIInChI=1S/C5H10O3/c1-4(6)3-8-5(2)7/h5,7H,3H2,1-2H3
InChIKeySGYALPVDVURPMA-UHFFFAOYSA-N
XLogP-0.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyethoxy)propan-2-one?
The IUPAC name of 1-(1-hydroxyethoxy)propan-2-one (CID 57249155) is 1-(1-hydroxyethoxy)propan-2-one.
What is the SMILES notation for 1-(1-hydroxyethoxy)propan-2-one?
The canonical SMILES for 1-(1-hydroxyethoxy)propan-2-one is CC(=O)COC(C)O.
What is the InChIKey of 1-(1-hydroxyethoxy)propan-2-one?
The InChIKey is SGYALPVDVURPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c1-4(6)3-8-5(2)7/h5,7H,3H2,1-2H3.
What are the key properties of 1-(1-hydroxyethoxy)propan-2-one?
1-(1-hydroxyethoxy)propan-2-one has a molecular weight of 118.13 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethoxy)propan-2-one is sourced from PubChem (CID 57249155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).