methyl carbonate

C2H3O3- — CID 4585885

IUPACmethyl carbonate
SMILESCOC(=O)[O-]
InChIInChI=1S/C2H4O3/c1-5-2(3)4/h1H3,(H,3,4)/p-1
InChIKeyCXHHBNMLPJOKQD-UHFFFAOYSA-M
MW75.04 g/mol
LogP-1.02
Rot. Bonds

About methyl carbonate

methyl carbonate (PubChem CID 4585885) has the molecular formula C2H3O3- and a molecular weight of 75.04 g/mol. Its IUPAC name is methyl carbonate.

Molecular Properties

Compound Namemethyl carbonate
PubChem CID4585885
Molecular FormulaC2H3O3-
Molecular Weight75.04 g/mol
Exact Mass75.01
IUPAC Namemethyl carbonate
SMILESCOC(=O)[O-]
InChIInChI=1S/C2H4O3/c1-5-2(3)4/h1H3,(H,3,4)/p-1
InChIKeyCXHHBNMLPJOKQD-UHFFFAOYSA-M
XLogP-1.02
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.04
LogP ≤ 5-1.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl carbonate?
The IUPAC name of methyl carbonate (CID 4585885) is methyl carbonate.
What is the SMILES notation for methyl carbonate?
The canonical SMILES for methyl carbonate is COC(=O)[O-].
What is the InChIKey of methyl carbonate?
The InChIKey is CXHHBNMLPJOKQD-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O3/c1-5-2(3)4/h1H3,(H,3,4)/p-1.
What are the key properties of methyl carbonate?
methyl carbonate has a molecular weight of 75.04 g/mol, XLogP of -1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl carbonate is sourced from PubChem (CID 4585885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).