dimethoxymethyl formate

C4H8O4 — CID 54026188

IUPACdimethoxymethyl formate
SMILESCOC(OC)OC=O
InChIInChI=1S/C4H8O4/c1-6-4(7-2)8-3-5/h3-4H,1-2H3
InChIKeyKDPPXWPVHGNTOF-UHFFFAOYSA-N
MW120.10 g/mol
LogP-0.26
Rot. Bonds4

About dimethoxymethyl formate

dimethoxymethyl formate (PubChem CID 54026188) has the molecular formula C4H8O4 and a molecular weight of 120.10 g/mol. Its IUPAC name is dimethoxymethyl formate.

Molecular Properties

Compound Namedimethoxymethyl formate
PubChem CID54026188
Molecular FormulaC4H8O4
Molecular Weight120.10 g/mol
Exact Mass120.04
IUPAC Namedimethoxymethyl formate
SMILESCOC(OC)OC=O
InChIInChI=1S/C4H8O4/c1-6-4(7-2)8-3-5/h3-4H,1-2H3
InChIKeyKDPPXWPVHGNTOF-UHFFFAOYSA-N
XLogP-0.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.10
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 dimethoxymethyl formate?
The IUPAC name of dimethoxymethyl formate (CID 54026188) is dimethoxymethyl formate.
What is the SMILES notation for dimethoxymethyl formate?
The canonical SMILES for dimethoxymethyl formate is COC(OC)OC=O.
What is the InChIKey of dimethoxymethyl formate?
The InChIKey is KDPPXWPVHGNTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4/c1-6-4(7-2)8-3-5/h3-4H,1-2H3.
What are the key properties of dimethoxymethyl formate?
dimethoxymethyl formate has a molecular weight of 120.10 g/mol, XLogP of -0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxymethyl formate is sourced from PubChem (CID 54026188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).