dimethoxy carbonate

C3H6O5 — CID 19352789

IUPACdimethoxy carbonate
SMILESCOOC(=O)OOC
InChIInChI=1S/C3H6O5/c1-5-7-3(4)8-6-2/h1-2H3
InChIKeyZQLKHPNBHSTSIE-UHFFFAOYSA-N
MW122.08 g/mol
LogP0.26
Rot. Bonds2

About dimethoxy carbonate

dimethoxy carbonate (PubChem CID 19352789) has the molecular formula C3H6O5 and a molecular weight of 122.08 g/mol. Its IUPAC name is dimethoxy carbonate.

Molecular Properties

Compound Namedimethoxy carbonate
PubChem CID19352789
Molecular FormulaC3H6O5
Molecular Weight122.08 g/mol
Exact Mass122.02
IUPAC Namedimethoxy carbonate
SMILESCOOC(=O)OOC
InChIInChI=1S/C3H6O5/c1-5-7-3(4)8-6-2/h1-2H3
InChIKeyZQLKHPNBHSTSIE-UHFFFAOYSA-N
XLogP0.26
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.08
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

Methoxycarbonic acid
CID 19018247
Dimethoxycarboxylic acid
CID 21697285
Methyl methylperoxy carbonate
CID 126607897
Bis(methylperoxy) carbonate
CID 139794720
Cesium methoxy carbonate
CID 142322558
Methylperoxy hydrogen carbonate
CID 146356167
Methoxy methylperoxycarbonyloxy carbonate
CID 150811952
Carboxyoxy methoxy carbonate
CID 153903618
Bis(carbon dioxide);methane;molecular oxygen
CID 159780754
Carbon dioxide;methane;molecular oxygen
CID 160944538
Carbon dioxide;hydrogen peroxide;methane;molecular oxygen
CID 169427484
Sodium methoxy carbonate
CID 172855856

Frequently Asked Questions

What is the IUPAC name of dimethoxy carbonate?
The IUPAC name of dimethoxy carbonate (CID 19352789) is dimethoxy carbonate.
What is the SMILES notation for dimethoxy carbonate?
The canonical SMILES for dimethoxy carbonate is COOC(=O)OOC.
What is the InChIKey of dimethoxy carbonate?
The InChIKey is ZQLKHPNBHSTSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O5/c1-5-7-3(4)8-6-2/h1-2H3.
What are the key properties of dimethoxy carbonate?
dimethoxy carbonate has a molecular weight of 122.08 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy carbonate is sourced from PubChem (CID 19352789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).