(Z)-2-ethoxy-1-ethylsulfanylbut-2-ene

C8H16OS — CID 23261322

IUPAC(Z)-2-ethoxy-1-ethylsulfanylbut-2-ene
SMILESC/C=C(/CSCC)OCC
InChIInChI=1S/C8H16OS/c1-4-8(9-5-2)7-10-6-3/h4H,5-7H2,1-3H3/b8-4-
InChIKeyGLWHXHINPCWFRZ-YWEYNIOJSA-N
MW160.28 g/mol
LogP2.68
Rot. Bonds5

About (Z)-2-ethoxy-1-ethylsulfanylbut-2-ene

(Z)-2-ethoxy-1-ethylsulfanylbut-2-ene (PubChem CID 23261322) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is (Z)-2-ethoxy-1-ethylsulfanylbut-2-ene.

Molecular Properties

Compound Name(Z)-2-ethoxy-1-ethylsulfanylbut-2-ene
PubChem CID23261322
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name(Z)-2-ethoxy-1-ethylsulfanylbut-2-ene
SMILESC/C=C(/CSCC)OCC
InChIInChI=1S/C8H16OS/c1-4-8(9-5-2)7-10-6-3/h4H,5-7H2,1-3H3/b8-4-
InChIKeyGLWHXHINPCWFRZ-YWEYNIOJSA-N
XLogP2.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.68
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 (Z)-2-ethoxy-1-ethylsulfanylbut-2-ene?
The IUPAC name of (Z)-2-ethoxy-1-ethylsulfanylbut-2-ene (CID 23261322) is (Z)-2-ethoxy-1-ethylsulfanylbut-2-ene.
What is the SMILES notation for (Z)-2-ethoxy-1-ethylsulfanylbut-2-ene?
The canonical SMILES for (Z)-2-ethoxy-1-ethylsulfanylbut-2-ene is C/C=C(/CSCC)OCC.
What is the InChIKey of (Z)-2-ethoxy-1-ethylsulfanylbut-2-ene?
The InChIKey is GLWHXHINPCWFRZ-YWEYNIOJSA-N. The full InChI is InChI=1S/C8H16OS/c1-4-8(9-5-2)7-10-6-3/h4H,5-7H2,1-3H3/b8-4-.
What are the key properties of (Z)-2-ethoxy-1-ethylsulfanylbut-2-ene?
(Z)-2-ethoxy-1-ethylsulfanylbut-2-ene has a molecular weight of 160.28 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethoxy-1-ethylsulfanylbut-2-ene is sourced from PubChem (CID 23261322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).