1-(2-ethenoxyethylsulfanyl)butane

C8H16OS — CID 23089

IUPAC1-(2-ethenoxyethylsulfanyl)butane
SMILESC=COCCSCCCC
InChIInChI=1S/C8H16OS/c1-3-5-7-10-8-6-9-4-2/h4H,2-3,5-8H2,1H3
InChIKeyGZHKEFMXFNGIDG-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.68
Rot. Bonds7

About 1-(2-ethenoxyethylsulfanyl)butane

1-(2-ethenoxyethylsulfanyl)butane (PubChem CID 23089) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 1-(2-ethenoxyethylsulfanyl)butane.

Molecular Properties

Compound Name1-(2-ethenoxyethylsulfanyl)butane
PubChem CID23089
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name1-(2-ethenoxyethylsulfanyl)butane
SMILESC=COCCSCCCC
InChIInChI=1S/C8H16OS/c1-3-5-7-10-8-6-9-4-2/h4H,2-3,5-8H2,1H3
InChIKeyGZHKEFMXFNGIDG-UHFFFAOYSA-N
XLogP2.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenoxyethylsulfanyl)butane?
The IUPAC name of 1-(2-ethenoxyethylsulfanyl)butane (CID 23089) is 1-(2-ethenoxyethylsulfanyl)butane.
What is the SMILES notation for 1-(2-ethenoxyethylsulfanyl)butane?
The canonical SMILES for 1-(2-ethenoxyethylsulfanyl)butane is C=COCCSCCCC.
What is the InChIKey of 1-(2-ethenoxyethylsulfanyl)butane?
The InChIKey is GZHKEFMXFNGIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-3-5-7-10-8-6-9-4-2/h4H,2-3,5-8H2,1H3.
What are the key properties of 1-(2-ethenoxyethylsulfanyl)butane?
1-(2-ethenoxyethylsulfanyl)butane has a molecular weight of 160.28 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxyethylsulfanyl)butane is sourced from PubChem (CID 23089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).