ethyl 1-methoxyethenyl carbonate

C6H10O4 — CID 12632739

IUPACethyl 1-methoxyethenyl carbonate
SMILESC=C(OC)OC(=O)OCC
InChIInChI=1S/C6H10O4/c1-4-9-6(7)10-5(2)8-3/h2,4H2,1,3H3
InChIKeyIDZLQCIUHITZTO-UHFFFAOYSA-N
MW146.14 g/mol
LogP1.28
Rot. Bonds3

About ethyl 1-methoxyethenyl carbonate

ethyl 1-methoxyethenyl carbonate (PubChem CID 12632739) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is ethyl 1-methoxyethenyl carbonate.

Molecular Properties

Compound Nameethyl 1-methoxyethenyl carbonate
PubChem CID12632739
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Nameethyl 1-methoxyethenyl carbonate
SMILESC=C(OC)OC(=O)OCC
InChIInChI=1S/C6H10O4/c1-4-9-6(7)10-5(2)8-3/h2,4H2,1,3H3
InChIKeyIDZLQCIUHITZTO-UHFFFAOYSA-N
XLogP1.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methoxyethenyl carbonate?
The IUPAC name of ethyl 1-methoxyethenyl carbonate (CID 12632739) is ethyl 1-methoxyethenyl carbonate.
What is the SMILES notation for ethyl 1-methoxyethenyl carbonate?
The canonical SMILES for ethyl 1-methoxyethenyl carbonate is C=C(OC)OC(=O)OCC.
What is the InChIKey of ethyl 1-methoxyethenyl carbonate?
The InChIKey is IDZLQCIUHITZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-4-9-6(7)10-5(2)8-3/h2,4H2,1,3H3.
What are the key properties of ethyl 1-methoxyethenyl carbonate?
ethyl 1-methoxyethenyl carbonate has a molecular weight of 146.14 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methoxyethenyl carbonate is sourced from PubChem (CID 12632739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).