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

C10H20OS — CID 142987487

IUPAC(Z)-3-butoxy-1-ethylsulfanylbut-1-ene
SMILESCCCCOC(C)/C=C\SCC
InChIInChI=1S/C10H20OS/c1-4-6-8-11-10(3)7-9-12-5-2/h7,9-10H,4-6,8H2,1-3H3/b9-7-
InChIKeyWGRVZMRUIKRQOO-CLFYSBASSA-N
MW188.34 g/mol
LogP3.46
Rot. Bonds7

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

(Z)-3-butoxy-1-ethylsulfanylbut-1-ene (PubChem CID 142987487) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is (Z)-3-butoxy-1-ethylsulfanylbut-1-ene.

Molecular Properties

Compound Name(Z)-3-butoxy-1-ethylsulfanylbut-1-ene
PubChem CID142987487
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name(Z)-3-butoxy-1-ethylsulfanylbut-1-ene
SMILESCCCCOC(C)/C=C\SCC
InChIInChI=1S/C10H20OS/c1-4-6-8-11-10(3)7-9-12-5-2/h7,9-10H,4-6,8H2,1-3H3/b9-7-
InChIKeyWGRVZMRUIKRQOO-CLFYSBASSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-butoxy-1-ethylsulfanylbut-1-ene?
The IUPAC name of (Z)-3-butoxy-1-ethylsulfanylbut-1-ene (CID 142987487) is (Z)-3-butoxy-1-ethylsulfanylbut-1-ene.
What is the SMILES notation for (Z)-3-butoxy-1-ethylsulfanylbut-1-ene?
The canonical SMILES for (Z)-3-butoxy-1-ethylsulfanylbut-1-ene is CCCCOC(C)/C=C\SCC.
What is the InChIKey of (Z)-3-butoxy-1-ethylsulfanylbut-1-ene?
The InChIKey is WGRVZMRUIKRQOO-CLFYSBASSA-N. The full InChI is InChI=1S/C10H20OS/c1-4-6-8-11-10(3)7-9-12-5-2/h7,9-10H,4-6,8H2,1-3H3/b9-7-.
What are the key properties of (Z)-3-butoxy-1-ethylsulfanylbut-1-ene?
(Z)-3-butoxy-1-ethylsulfanylbut-1-ene has a molecular weight of 188.34 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-butoxy-1-ethylsulfanylbut-1-ene is sourced from PubChem (CID 142987487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).