diethyl carbonate;ethene;methane

C8H18O3 — CID 146405218

IUPACdiethyl carbonate;ethene;methane
SMILESC.C=C.CCOC(=O)OCC
InChIInChI=1S/C5H10O3.C2H4.CH4/c1-3-7-5(6)8-4-2;1-2;/h3-4H2,1-2H3;1-2H2;1H4
InChIKeyLYSRUTVDJYYQSY-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.62
Rot. Bonds2

About diethyl carbonate;ethene;methane

diethyl carbonate;ethene;methane (PubChem CID 146405218) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is diethyl carbonate;ethene;methane.

Molecular Properties

Compound Namediethyl carbonate;ethene;methane
PubChem CID146405218
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Namediethyl carbonate;ethene;methane
SMILESC.C=C.CCOC(=O)OCC
InChIInChI=1S/C5H10O3.C2H4.CH4/c1-3-7-5(6)8-4-2;1-2;/h3-4H2,1-2H3;1-2H2;1H4
InChIKeyLYSRUTVDJYYQSY-UHFFFAOYSA-N
XLogP2.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl carbonate;ethene;methane?
The IUPAC name of diethyl carbonate;ethene;methane (CID 146405218) is diethyl carbonate;ethene;methane.
What is the SMILES notation for diethyl carbonate;ethene;methane?
The canonical SMILES for diethyl carbonate;ethene;methane is C.C=C.CCOC(=O)OCC.
What is the InChIKey of diethyl carbonate;ethene;methane?
The InChIKey is LYSRUTVDJYYQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C2H4.CH4/c1-3-7-5(6)8-4-2;1-2;/h3-4H2,1-2H3;1-2H2;1H4.
What are the key properties of diethyl carbonate;ethene;methane?
diethyl carbonate;ethene;methane has a molecular weight of 162.23 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl carbonate;ethene;methane is sourced from PubChem (CID 146405218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).