1-hydroxyethyl formate

C3H6O3 — CID 19915320

IUPAC1-hydroxyethyl formate
SMILESCC(O)OC=O
InChIInChI=1S/C3H6O3/c1-3(5)6-2-4/h2-3,5H,1H3
InChIKeyJRUKHAIVAGVYRP-UHFFFAOYSA-N
MW90.08 g/mol
LogP-0.50
Rot. Bonds2

About 1-hydroxyethyl formate

1-hydroxyethyl formate (PubChem CID 19915320) has the molecular formula C3H6O3 and a molecular weight of 90.08 g/mol. Its IUPAC name is 1-hydroxyethyl formate.

Molecular Properties

Compound Name1-hydroxyethyl formate
PubChem CID19915320
Molecular FormulaC3H6O3
Molecular Weight90.08 g/mol
Exact Mass90.03
IUPAC Name1-hydroxyethyl formate
SMILESCC(O)OC=O
InChIInChI=1S/C3H6O3/c1-3(5)6-2-4/h2-3,5H,1H3
InChIKeyJRUKHAIVAGVYRP-UHFFFAOYSA-N
XLogP-0.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.08
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-hydroxyethyl formate?
The IUPAC name of 1-hydroxyethyl formate (CID 19915320) is 1-hydroxyethyl formate.
What is the SMILES notation for 1-hydroxyethyl formate?
The canonical SMILES for 1-hydroxyethyl formate is CC(O)OC=O.
What is the InChIKey of 1-hydroxyethyl formate?
The InChIKey is JRUKHAIVAGVYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3/c1-3(5)6-2-4/h2-3,5H,1H3.
What are the key properties of 1-hydroxyethyl formate?
1-hydroxyethyl formate has a molecular weight of 90.08 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyethyl formate is sourced from PubChem (CID 19915320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).