[4-(hydroxymethyl)-1,3-dioxolan-2-yl] formate

C5H8O5 — CID 135314566

IUPAC[4-(hydroxymethyl)-1,3-dioxolan-2-yl] formate
SMILESO=COC1OCC(CO)O1
InChIInChI=1S/C5H8O5/c6-1-4-2-8-5(10-4)9-3-7/h3-6H,1-2H2
InChIKeyLTYNGLMJUQKGRJ-UHFFFAOYSA-N
MW148.11 g/mol
LogP-1.15
Rot. Bonds3

About [4-(hydroxymethyl)-1,3-dioxolan-2-yl] formate

[4-(hydroxymethyl)-1,3-dioxolan-2-yl] formate (PubChem CID 135314566) has the molecular formula C5H8O5 and a molecular weight of 148.11 g/mol. Its IUPAC name is [4-(hydroxymethyl)-1,3-dioxolan-2-yl] formate.

Molecular Properties

Compound Name[4-(hydroxymethyl)-1,3-dioxolan-2-yl] formate
PubChem CID135314566
Molecular FormulaC5H8O5
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name[4-(hydroxymethyl)-1,3-dioxolan-2-yl] formate
SMILESO=COC1OCC(CO)O1
InChIInChI=1S/C5H8O5/c6-1-4-2-8-5(10-4)9-3-7/h3-6H,1-2H2
InChIKeyLTYNGLMJUQKGRJ-UHFFFAOYSA-N
XLogP-1.15
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-1,3-dioxolan-2-yl] formate?
The IUPAC name of [4-(hydroxymethyl)-1,3-dioxolan-2-yl] formate (CID 135314566) is [4-(hydroxymethyl)-1,3-dioxolan-2-yl] formate.
What is the SMILES notation for [4-(hydroxymethyl)-1,3-dioxolan-2-yl] formate?
The canonical SMILES for [4-(hydroxymethyl)-1,3-dioxolan-2-yl] formate is O=COC1OCC(CO)O1.
What is the InChIKey of [4-(hydroxymethyl)-1,3-dioxolan-2-yl] formate?
The InChIKey is LTYNGLMJUQKGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O5/c6-1-4-2-8-5(10-4)9-3-7/h3-6H,1-2H2.
What are the key properties of [4-(hydroxymethyl)-1,3-dioxolan-2-yl] formate?
[4-(hydroxymethyl)-1,3-dioxolan-2-yl] formate has a molecular weight of 148.11 g/mol, XLogP of -1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-1,3-dioxolan-2-yl] formate is sourced from PubChem (CID 135314566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).