ethane;1-ethoxy-1-ethylsulfanylethene

C8H18OS — CID 142074089

IUPACethane;1-ethoxy-1-ethylsulfanylethene
SMILESC=C(OCC)SCC.CC
InChIInChI=1S/C6H12OS.C2H6/c1-4-7-6(3)8-5-2;1-2/h3-5H2,1-2H3;1-2H3
InChIKeyKREWGEDCUYNPHW-UHFFFAOYSA-N
MW162.30 g/mol
LogP3.27
Rot. Bonds4

About ethane;1-ethoxy-1-ethylsulfanylethene

ethane;1-ethoxy-1-ethylsulfanylethene (PubChem CID 142074089) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is ethane;1-ethoxy-1-ethylsulfanylethene.

Molecular Properties

Compound Nameethane;1-ethoxy-1-ethylsulfanylethene
PubChem CID142074089
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Nameethane;1-ethoxy-1-ethylsulfanylethene
SMILESC=C(OCC)SCC.CC
InChIInChI=1S/C6H12OS.C2H6/c1-4-7-6(3)8-5-2;1-2/h3-5H2,1-2H3;1-2H3
InChIKeyKREWGEDCUYNPHW-UHFFFAOYSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 ethane;1-ethoxy-1-ethylsulfanylethene?
The IUPAC name of ethane;1-ethoxy-1-ethylsulfanylethene (CID 142074089) is ethane;1-ethoxy-1-ethylsulfanylethene.
What is the SMILES notation for ethane;1-ethoxy-1-ethylsulfanylethene?
The canonical SMILES for ethane;1-ethoxy-1-ethylsulfanylethene is C=C(OCC)SCC.CC.
What is the InChIKey of ethane;1-ethoxy-1-ethylsulfanylethene?
The InChIKey is KREWGEDCUYNPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS.C2H6/c1-4-7-6(3)8-5-2;1-2/h3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethoxy-1-ethylsulfanylethene?
ethane;1-ethoxy-1-ethylsulfanylethene has a molecular weight of 162.30 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethoxy-1-ethylsulfanylethene is sourced from PubChem (CID 142074089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).