dimethyl carbonate

C3H6O3 — CID 12021

IUPACdimethyl carbonate
SMILESCOC(=O)OC
InChIInChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3
InChIKeyIEJIGPNLZYLLBP-UHFFFAOYSA-N
MW90.08 g/mol
LogP0.40
Rot. Bonds

About dimethyl carbonate

dimethyl carbonate (PubChem CID 12021) has the molecular formula C3H6O3 and a molecular weight of 90.08 g/mol. Its IUPAC name is dimethyl carbonate.

Molecular Properties

Compound Namedimethyl carbonate
PubChem CID12021
Molecular FormulaC3H6O3
Molecular Weight90.08 g/mol
Exact Mass90.03
IUPAC Namedimethyl carbonate
SMILESCOC(=O)OC
InChIInChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3
InChIKeyIEJIGPNLZYLLBP-UHFFFAOYSA-N
XLogP0.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.08
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Dimethyl dicarbonate
CID 3086
Methoxymethyl formate
CID 138210
Carbonic acid, fluoromethyl methyl ester
CID 11622329
Dimethyl carbonate-13C3
CID 12230705
Iodomethyl methyl carbonate
CID 12769286
Bis((~2~H_3_)methyl) carbonate
CID 51341918
Dimethoxycarbene
CID 101929920
Methylcarbonate
CID 4585885
CID 5483212
CID 5483212
Dimethyl carbonate-(carbonyl-13C), 99 atom % 13C, 97% (CP)
CID 12230706
Methoxycarbonyl(methylidene)oxidanium
CID 22979578
Dimethyl tricarbonate
CID 23515054

Frequently Asked Questions

What is the IUPAC name of dimethyl carbonate?
The IUPAC name of dimethyl carbonate (CID 12021) is dimethyl carbonate.
What is the SMILES notation for dimethyl carbonate?
The canonical SMILES for dimethyl carbonate is COC(=O)OC.
What is the InChIKey of dimethyl carbonate?
The InChIKey is IEJIGPNLZYLLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3.
What are the key properties of dimethyl carbonate?
dimethyl carbonate has a molecular weight of 90.08 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl carbonate is sourced from PubChem (CID 12021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).