methoxycarbonyl formate

C3H4O4 — CID 13182955

IUPACmethoxycarbonyl formate
SMILESCOC(=O)OC=O
InChIInChI=1S/C3H4O4/c1-6-3(5)7-2-4/h2H,1H3
InChIKeyIIHOUWJOSQHHHH-UHFFFAOYSA-N
MW104.06 g/mol
LogP-0.07
Rot. Bonds1

About methoxycarbonyl formate

methoxycarbonyl formate (PubChem CID 13182955) has the molecular formula C3H4O4 and a molecular weight of 104.06 g/mol. Its IUPAC name is methoxycarbonyl formate.

Molecular Properties

Compound Namemethoxycarbonyl formate
PubChem CID13182955
Molecular FormulaC3H4O4
Molecular Weight104.06 g/mol
Exact Mass104.01
IUPAC Namemethoxycarbonyl formate
SMILESCOC(=O)OC=O
InChIInChI=1S/C3H4O4/c1-6-3(5)7-2-4/h2H,1H3
InChIKeyIIHOUWJOSQHHHH-UHFFFAOYSA-N
XLogP-0.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.06
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxycarbonyl formate?
The IUPAC name of methoxycarbonyl formate (CID 13182955) is methoxycarbonyl formate.
What is the SMILES notation for methoxycarbonyl formate?
The canonical SMILES for methoxycarbonyl formate is COC(=O)OC=O.
What is the InChIKey of methoxycarbonyl formate?
The InChIKey is IIHOUWJOSQHHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O4/c1-6-3(5)7-2-4/h2H,1H3.
What are the key properties of methoxycarbonyl formate?
methoxycarbonyl formate has a molecular weight of 104.06 g/mol, XLogP of -0.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxycarbonyl formate is sourced from PubChem (CID 13182955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).