1-(2-ethoxyethenylsulfanyl)butane

C8H16OS — CID 154171584

IUPAC1-(2-ethoxyethenylsulfanyl)butane
SMILESCCCCSC=COCC
InChIInChI=1S/C8H16OS/c1-3-5-7-10-8-6-9-4-2/h6,8H,3-5,7H2,1-2H3
InChIKeyIAFREKPLUHVSMA-UHFFFAOYSA-N
MW160.28 g/mol
LogP3.03
Rot. Bonds6

About 1-(2-ethoxyethenylsulfanyl)butane

1-(2-ethoxyethenylsulfanyl)butane (PubChem CID 154171584) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 1-(2-ethoxyethenylsulfanyl)butane.

Molecular Properties

Compound Name1-(2-ethoxyethenylsulfanyl)butane
PubChem CID154171584
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name1-(2-ethoxyethenylsulfanyl)butane
SMILESCCCCSC=COCC
InChIInChI=1S/C8H16OS/c1-3-5-7-10-8-6-9-4-2/h6,8H,3-5,7H2,1-2H3
InChIKeyIAFREKPLUHVSMA-UHFFFAOYSA-N
XLogP3.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethenylsulfanyl)butane?
The IUPAC name of 1-(2-ethoxyethenylsulfanyl)butane (CID 154171584) is 1-(2-ethoxyethenylsulfanyl)butane.
What is the SMILES notation for 1-(2-ethoxyethenylsulfanyl)butane?
The canonical SMILES for 1-(2-ethoxyethenylsulfanyl)butane is CCCCSC=COCC.
What is the InChIKey of 1-(2-ethoxyethenylsulfanyl)butane?
The InChIKey is IAFREKPLUHVSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-3-5-7-10-8-6-9-4-2/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 1-(2-ethoxyethenylsulfanyl)butane?
1-(2-ethoxyethenylsulfanyl)butane has a molecular weight of 160.28 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethenylsulfanyl)butane is sourced from PubChem (CID 154171584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).