methoxycarbonyl methyl carbonate

C4H6O5 — CID 3086

IUPACmethoxycarbonyl methyl carbonate
SMILESCOC(=O)OC(=O)OC
InChIInChI=1S/C4H6O5/c1-7-3(5)9-4(6)8-2/h1-2H3
InChIKeyGZDFHIJNHHMENY-UHFFFAOYSA-N
MW134.09 g/mol
LogP0.54
Rot. Bonds

About methoxycarbonyl methyl carbonate

methoxycarbonyl methyl carbonate (PubChem CID 3086) has the molecular formula C4H6O5 and a molecular weight of 134.09 g/mol. Its IUPAC name is methoxycarbonyl methyl carbonate.

Molecular Properties

Compound Namemethoxycarbonyl methyl carbonate
PubChem CID3086
Molecular FormulaC4H6O5
Molecular Weight134.09 g/mol
Exact Mass134.02
IUPAC Namemethoxycarbonyl methyl carbonate
SMILESCOC(=O)OC(=O)OC
InChIInChI=1S/C4H6O5/c1-7-3(5)9-4(6)8-2/h1-2H3
InChIKeyGZDFHIJNHHMENY-UHFFFAOYSA-N
XLogP0.54
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.09
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl Carbonate
CID 12021
Dimethyl carbonate-13C3
CID 12230705
Bis((~2~H_3_)methyl) carbonate
CID 51341918
Carbonic acid, monomethyl ester, magnesium salt (2:1)
CID 167017
Dimethoxycarbene
CID 101929920
Methoxycarbonyloxymethyl methylcarbonate
CID 22952360
Magnesium dimethyl dicarbonate
CID 118856751
Calcium dimethyl dicarbonate
CID 73759911
Magnesium methoxycarbonyl methyl carbonate
CID 21124585
Calcium methoxycarbonyl methyl carbonate
CID 139594249
CID 170843740
CID 170843740
CID 170844079
CID 170844079

Frequently Asked Questions

What is the IUPAC name of methoxycarbonyl methyl carbonate?
The IUPAC name of methoxycarbonyl methyl carbonate (CID 3086) is methoxycarbonyl methyl carbonate.
What is the SMILES notation for methoxycarbonyl methyl carbonate?
The canonical SMILES for methoxycarbonyl methyl carbonate is COC(=O)OC(=O)OC.
What is the InChIKey of methoxycarbonyl methyl carbonate?
The InChIKey is GZDFHIJNHHMENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O5/c1-7-3(5)9-4(6)8-2/h1-2H3.
What are the key properties of methoxycarbonyl methyl carbonate?
methoxycarbonyl methyl carbonate has a molecular weight of 134.09 g/mol, XLogP of 0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxycarbonyl methyl carbonate is sourced from PubChem (CID 3086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).