methoxycarbonyloxymethyl methyl carbonate

C5H8O6 — CID 22952360

IUPACmethoxycarbonyloxymethyl methyl carbonate
SMILESCOC(=O)OCOC(=O)OC
InChIInChI=1S/C5H8O6/c1-8-4(6)10-3-11-5(7)9-2/h3H2,1-2H3
InChIKeyLXMVFTFTFWEOIU-UHFFFAOYSA-N
MW164.11 g/mol
LogP0.51
Rot. Bonds2

About methoxycarbonyloxymethyl methyl carbonate

methoxycarbonyloxymethyl methyl carbonate (PubChem CID 22952360) has the molecular formula C5H8O6 and a molecular weight of 164.11 g/mol. Its IUPAC name is methoxycarbonyloxymethyl methyl carbonate.

Molecular Properties

Compound Namemethoxycarbonyloxymethyl methyl carbonate
PubChem CID22952360
Molecular FormulaC5H8O6
Molecular Weight164.11 g/mol
Exact Mass164.03
IUPAC Namemethoxycarbonyloxymethyl methyl carbonate
SMILESCOC(=O)OCOC(=O)OC
InChIInChI=1S/C5H8O6/c1-8-4(6)10-3-11-5(7)9-2/h3H2,1-2H3
InChIKeyLXMVFTFTFWEOIU-UHFFFAOYSA-N
XLogP0.51
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.11
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxycarbonyloxymethyl methyl carbonate?
The IUPAC name of methoxycarbonyloxymethyl methyl carbonate (CID 22952360) is methoxycarbonyloxymethyl methyl carbonate.
What is the SMILES notation for methoxycarbonyloxymethyl methyl carbonate?
The canonical SMILES for methoxycarbonyloxymethyl methyl carbonate is COC(=O)OCOC(=O)OC.
What is the InChIKey of methoxycarbonyloxymethyl methyl carbonate?
The InChIKey is LXMVFTFTFWEOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O6/c1-8-4(6)10-3-11-5(7)9-2/h3H2,1-2H3.
What are the key properties of methoxycarbonyloxymethyl methyl carbonate?
methoxycarbonyloxymethyl methyl carbonate has a molecular weight of 164.11 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methoxycarbonyloxymethyl methyl carbonate is sourced from PubChem (CID 22952360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).