ethenyl methoxymethyl carbonate

C5H8O4 — CID 22266999

IUPACethenyl methoxymethyl carbonate
SMILESC=COC(=O)OCOC
InChIInChI=1S/C5H8O4/c1-3-8-5(6)9-4-7-2/h3H,1,4H2,2H3
InChIKeyNDKNAKLNVKDSFE-UHFFFAOYSA-N
MW132.11 g/mol
LogP0.89
Rot. Bonds3

About ethenyl methoxymethyl carbonate

ethenyl methoxymethyl carbonate (PubChem CID 22266999) has the molecular formula C5H8O4 and a molecular weight of 132.11 g/mol. Its IUPAC name is ethenyl methoxymethyl carbonate.

Molecular Properties

Compound Nameethenyl methoxymethyl carbonate
PubChem CID22266999
Molecular FormulaC5H8O4
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Nameethenyl methoxymethyl carbonate
SMILESC=COC(=O)OCOC
InChIInChI=1S/C5H8O4/c1-3-8-5(6)9-4-7-2/h3H,1,4H2,2H3
InChIKeyNDKNAKLNVKDSFE-UHFFFAOYSA-N
XLogP0.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 ethenyl methoxymethyl carbonate?
The IUPAC name of ethenyl methoxymethyl carbonate (CID 22266999) is ethenyl methoxymethyl carbonate.
What is the SMILES notation for ethenyl methoxymethyl carbonate?
The canonical SMILES for ethenyl methoxymethyl carbonate is C=COC(=O)OCOC.
What is the InChIKey of ethenyl methoxymethyl carbonate?
The InChIKey is NDKNAKLNVKDSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4/c1-3-8-5(6)9-4-7-2/h3H,1,4H2,2H3.
What are the key properties of ethenyl methoxymethyl carbonate?
ethenyl methoxymethyl carbonate has a molecular weight of 132.11 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl methoxymethyl carbonate is sourced from PubChem (CID 22266999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).