bis(methoxymethyl) carbonate

C5H10O5 — CID 20744693

IUPACbis(methoxymethyl) carbonate
SMILESCOCOC(=O)OCOC
InChIInChI=1S/C5H10O5/c1-7-3-9-5(6)10-4-8-2/h3-4H2,1-2H3
InChIKeyBUEBPZHICJLZNL-UHFFFAOYSA-N
MW150.13 g/mol
LogP0.35
Rot. Bonds4

About bis(methoxymethyl) carbonate

bis(methoxymethyl) carbonate (PubChem CID 20744693) has the molecular formula C5H10O5 and a molecular weight of 150.13 g/mol. Its IUPAC name is bis(methoxymethyl) carbonate.

Molecular Properties

Compound Namebis(methoxymethyl) carbonate
PubChem CID20744693
Molecular FormulaC5H10O5
Molecular Weight150.13 g/mol
Exact Mass150.05
IUPAC Namebis(methoxymethyl) carbonate
SMILESCOCOC(=O)OCOC
InChIInChI=1S/C5H10O5/c1-7-3-9-5(6)10-4-8-2/h3-4H2,1-2H3
InChIKeyBUEBPZHICJLZNL-UHFFFAOYSA-N
XLogP0.35
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 bis(methoxymethyl) carbonate?
The IUPAC name of bis(methoxymethyl) carbonate (CID 20744693) is bis(methoxymethyl) carbonate.
What is the SMILES notation for bis(methoxymethyl) carbonate?
The canonical SMILES for bis(methoxymethyl) carbonate is COCOC(=O)OCOC.
What is the InChIKey of bis(methoxymethyl) carbonate?
The InChIKey is BUEBPZHICJLZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O5/c1-7-3-9-5(6)10-4-8-2/h3-4H2,1-2H3.
What are the key properties of bis(methoxymethyl) carbonate?
bis(methoxymethyl) carbonate has a molecular weight of 150.13 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methoxymethyl) carbonate is sourced from PubChem (CID 20744693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).