(Z)-3-ethoxy-1-ethylsulfanylbut-1-ene

C8H16OS — CID 142987481

IUPAC(Z)-3-ethoxy-1-ethylsulfanylbut-1-ene
SMILESCCOC(C)/C=C\SCC
InChIInChI=1S/C8H16OS/c1-4-9-8(3)6-7-10-5-2/h6-8H,4-5H2,1-3H3/b7-6-
InChIKeyXRJSXSNJVFGKGK-SREVYHEPSA-N
MW160.28 g/mol
LogP2.68
Rot. Bonds5

About (Z)-3-ethoxy-1-ethylsulfanylbut-1-ene

(Z)-3-ethoxy-1-ethylsulfanylbut-1-ene (PubChem CID 142987481) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is (Z)-3-ethoxy-1-ethylsulfanylbut-1-ene.

Molecular Properties

Compound Name(Z)-3-ethoxy-1-ethylsulfanylbut-1-ene
PubChem CID142987481
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name(Z)-3-ethoxy-1-ethylsulfanylbut-1-ene
SMILESCCOC(C)/C=C\SCC
InChIInChI=1S/C8H16OS/c1-4-9-8(3)6-7-10-5-2/h6-8H,4-5H2,1-3H3/b7-6-
InChIKeyXRJSXSNJVFGKGK-SREVYHEPSA-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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethoxy-1-ethylsulfanylbut-1-ene?
The IUPAC name of (Z)-3-ethoxy-1-ethylsulfanylbut-1-ene (CID 142987481) is (Z)-3-ethoxy-1-ethylsulfanylbut-1-ene.
What is the SMILES notation for (Z)-3-ethoxy-1-ethylsulfanylbut-1-ene?
The canonical SMILES for (Z)-3-ethoxy-1-ethylsulfanylbut-1-ene is CCOC(C)/C=C\SCC.
What is the InChIKey of (Z)-3-ethoxy-1-ethylsulfanylbut-1-ene?
The InChIKey is XRJSXSNJVFGKGK-SREVYHEPSA-N. The full InChI is InChI=1S/C8H16OS/c1-4-9-8(3)6-7-10-5-2/h6-8H,4-5H2,1-3H3/b7-6-.
What are the key properties of (Z)-3-ethoxy-1-ethylsulfanylbut-1-ene?
(Z)-3-ethoxy-1-ethylsulfanylbut-1-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)-3-ethoxy-1-ethylsulfanylbut-1-ene is sourced from PubChem (CID 142987481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).