dimethyl carbonate;methyl formate

C5H10O5 — CID 23113464

IUPACdimethyl carbonate;methyl formate
SMILESCOC(=O)OC.COC=O
InChIInChI=1S/C3H6O3.C2H4O2/c1-5-3(4)6-2;1-4-2-3/h1-2H3;2H,1H3
InChIKeyARQZJJZUBZVQJT-UHFFFAOYSA-N
MW150.13 g/mol
LogP0.19
Rot. Bonds1

About dimethyl carbonate;methyl formate

dimethyl carbonate;methyl formate (PubChem CID 23113464) has the molecular formula C5H10O5 and a molecular weight of 150.13 g/mol. Its IUPAC name is dimethyl carbonate;methyl formate.

Molecular Properties

Compound Namedimethyl carbonate;methyl formate
PubChem CID23113464
Molecular FormulaC5H10O5
Molecular Weight150.13 g/mol
Exact Mass150.05
IUPAC Namedimethyl carbonate;methyl formate
SMILESCOC(=O)OC.COC=O
InChIInChI=1S/C3H6O3.C2H4O2/c1-5-3(4)6-2;1-4-2-3/h1-2H3;2H,1H3
InChIKeyARQZJJZUBZVQJT-UHFFFAOYSA-N
XLogP0.19
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 50.19
H-Bond Donors ≤ 50
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 dimethyl carbonate;methyl formate?
The IUPAC name of dimethyl carbonate;methyl formate (CID 23113464) is dimethyl carbonate;methyl formate.
What is the SMILES notation for dimethyl carbonate;methyl formate?
The canonical SMILES for dimethyl carbonate;methyl formate is COC(=O)OC.COC=O.
What is the InChIKey of dimethyl carbonate;methyl formate?
The InChIKey is ARQZJJZUBZVQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.C2H4O2/c1-5-3(4)6-2;1-4-2-3/h1-2H3;2H,1H3.
What are the key properties of dimethyl carbonate;methyl formate?
dimethyl carbonate;methyl formate has a molecular weight of 150.13 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl carbonate;methyl formate is sourced from PubChem (CID 23113464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).