bis(methoxycarbonyloxymethyl) carbonate

C7H10O9 — CID 20674360

IUPACbis(methoxycarbonyloxymethyl) carbonate
SMILESCOC(=O)OCOC(=O)OCOC(=O)OC
InChIInChI=1S/C7H10O9/c1-11-5(8)13-3-15-7(10)16-4-14-6(9)12-2/h3-4H2,1-2H3
InChIKeyLCEDXHYDBZGXEO-UHFFFAOYSA-N
MW238.15 g/mol
LogP0.62
Rot. Bonds4

About bis(methoxycarbonyloxymethyl) carbonate

bis(methoxycarbonyloxymethyl) carbonate (PubChem CID 20674360) has the molecular formula C7H10O9 and a molecular weight of 238.15 g/mol. Its IUPAC name is bis(methoxycarbonyloxymethyl) carbonate.

Molecular Properties

Compound Namebis(methoxycarbonyloxymethyl) carbonate
PubChem CID20674360
Molecular FormulaC7H10O9
Molecular Weight238.15 g/mol
Exact Mass238.03
IUPAC Namebis(methoxycarbonyloxymethyl) carbonate
SMILESCOC(=O)OCOC(=O)OCOC(=O)OC
InChIInChI=1S/C7H10O9/c1-11-5(8)13-3-15-7(10)16-4-14-6(9)12-2/h3-4H2,1-2H3
InChIKeyLCEDXHYDBZGXEO-UHFFFAOYSA-N
XLogP0.62
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.15
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(methoxycarbonyloxymethyl) carbonate?
The IUPAC name of bis(methoxycarbonyloxymethyl) carbonate (CID 20674360) is bis(methoxycarbonyloxymethyl) carbonate.
What is the SMILES notation for bis(methoxycarbonyloxymethyl) carbonate?
The canonical SMILES for bis(methoxycarbonyloxymethyl) carbonate is COC(=O)OCOC(=O)OCOC(=O)OC.
What is the InChIKey of bis(methoxycarbonyloxymethyl) carbonate?
The InChIKey is LCEDXHYDBZGXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O9/c1-11-5(8)13-3-15-7(10)16-4-14-6(9)12-2/h3-4H2,1-2H3.
What are the key properties of bis(methoxycarbonyloxymethyl) carbonate?
bis(methoxycarbonyloxymethyl) carbonate has a molecular weight of 238.15 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methoxycarbonyloxymethyl) carbonate is sourced from PubChem (CID 20674360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).