bis(methoxycarbonyl) carbonate

C5H6O7 — CID 23515054

IUPACbis(methoxycarbonyl) carbonate
SMILESCOC(=O)OC(=O)OC(=O)OC
InChIInChI=1S/C5H6O7/c1-9-3(6)11-5(8)12-4(7)10-2/h1-2H3
InChIKeyOXVOISHISNQFRY-UHFFFAOYSA-N
MW178.10 g/mol
LogP0.67
Rot. Bonds

About bis(methoxycarbonyl) carbonate

bis(methoxycarbonyl) carbonate (PubChem CID 23515054) has the molecular formula C5H6O7 and a molecular weight of 178.10 g/mol. Its IUPAC name is bis(methoxycarbonyl) carbonate.

Molecular Properties

Compound Namebis(methoxycarbonyl) carbonate
PubChem CID23515054
Molecular FormulaC5H6O7
Molecular Weight178.10 g/mol
Exact Mass178.01
IUPAC Namebis(methoxycarbonyl) carbonate
SMILESCOC(=O)OC(=O)OC(=O)OC
InChIInChI=1S/C5H6O7/c1-9-3(6)11-5(8)12-4(7)10-2/h1-2H3
InChIKeyOXVOISHISNQFRY-UHFFFAOYSA-N
XLogP0.67
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.10
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(methoxycarbonyl) carbonate?
The IUPAC name of bis(methoxycarbonyl) carbonate (CID 23515054) is bis(methoxycarbonyl) carbonate.
What is the SMILES notation for bis(methoxycarbonyl) carbonate?
The canonical SMILES for bis(methoxycarbonyl) carbonate is COC(=O)OC(=O)OC(=O)OC.
What is the InChIKey of bis(methoxycarbonyl) carbonate?
The InChIKey is OXVOISHISNQFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O7/c1-9-3(6)11-5(8)12-4(7)10-2/h1-2H3.
What are the key properties of bis(methoxycarbonyl) carbonate?
bis(methoxycarbonyl) carbonate has a molecular weight of 178.10 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methoxycarbonyl) carbonate is sourced from PubChem (CID 23515054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).