bis(trideuteriomethyl) carbonate

C3H6O3 — CID 51341918

IUPACbis(trideuteriomethyl) carbonate
SMILES[2H]C([2H])([2H])OC(=O)OC([2H])([2H])[2H]
InChIInChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3/i1D3,2D3
InChIKeyIEJIGPNLZYLLBP-WFGJKAKNSA-N
MW96.11 g/mol
LogP0.40
Rot. Bonds2

About bis(trideuteriomethyl) carbonate

bis(trideuteriomethyl) carbonate (PubChem CID 51341918) has the molecular formula C3H6O3 and a molecular weight of 96.11 g/mol. Its IUPAC name is bis(trideuteriomethyl) carbonate.

Molecular Properties

Compound Namebis(trideuteriomethyl) carbonate
PubChem CID51341918
Molecular FormulaC3H6O3
Molecular Weight96.11 g/mol
Exact Mass96.07
IUPAC Namebis(trideuteriomethyl) carbonate
SMILES[2H]C([2H])([2H])OC(=O)OC([2H])([2H])[2H]
InChIInChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3/i1D3,2D3
InChIKeyIEJIGPNLZYLLBP-WFGJKAKNSA-N
XLogP0.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.11
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(trideuteriomethyl) carbonate?
The IUPAC name of bis(trideuteriomethyl) carbonate (CID 51341918) is bis(trideuteriomethyl) carbonate.
What is the SMILES notation for bis(trideuteriomethyl) carbonate?
The canonical SMILES for bis(trideuteriomethyl) carbonate is [2H]C([2H])([2H])OC(=O)OC([2H])([2H])[2H].
What is the InChIKey of bis(trideuteriomethyl) carbonate?
The InChIKey is IEJIGPNLZYLLBP-WFGJKAKNSA-N. The full InChI is InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3/i1D3,2D3.
What are the key properties of bis(trideuteriomethyl) carbonate?
bis(trideuteriomethyl) carbonate has a molecular weight of 96.11 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trideuteriomethyl) carbonate is sourced from PubChem (CID 51341918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).