ethenyl methyl carbonate;methane

C5H10O3 — CID 165046245

IUPACethenyl methyl carbonate;methane
SMILESC.C=COC(=O)OC
InChIInChI=1S/C4H6O3.CH4/c1-3-7-4(5)6-2;/h3H,1H2,2H3;1H4
InChIKeyOYEQLGMOKABLAW-UHFFFAOYSA-N
MW118.13 g/mol
LogP1.55
Rot. Bonds1

About ethenyl methyl carbonate;methane

ethenyl methyl carbonate;methane (PubChem CID 165046245) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is ethenyl methyl carbonate;methane.

Molecular Properties

Compound Nameethenyl methyl carbonate;methane
PubChem CID165046245
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Nameethenyl methyl carbonate;methane
SMILESC.C=COC(=O)OC
InChIInChI=1S/C4H6O3.CH4/c1-3-7-4(5)6-2;/h3H,1H2,2H3;1H4
InChIKeyOYEQLGMOKABLAW-UHFFFAOYSA-N
XLogP1.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethenyl methyl carbonate;methane?
The IUPAC name of ethenyl methyl carbonate;methane (CID 165046245) is ethenyl methyl carbonate;methane.
What is the SMILES notation for ethenyl methyl carbonate;methane?
The canonical SMILES for ethenyl methyl carbonate;methane is C.C=COC(=O)OC.
What is the InChIKey of ethenyl methyl carbonate;methane?
The InChIKey is OYEQLGMOKABLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3.CH4/c1-3-7-4(5)6-2;/h3H,1H2,2H3;1H4.
What are the key properties of ethenyl methyl carbonate;methane?
ethenyl methyl carbonate;methane has a molecular weight of 118.13 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl methyl carbonate;methane is sourced from PubChem (CID 165046245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).