2-(2-methoxyethylsulfanyl)but-1-ene

C7H14OS — CID 123871455

IUPAC2-(2-methoxyethylsulfanyl)but-1-ene
SMILESC=C(CC)SCCOC
InChIInChI=1S/C7H14OS/c1-4-7(2)9-6-5-8-3/h2,4-6H2,1,3H3
InChIKeyXUSCEQQQPPNXEH-UHFFFAOYSA-N
MW146.25 g/mol
LogP2.29
Rot. Bonds5

About 2-(2-methoxyethylsulfanyl)but-1-ene

2-(2-methoxyethylsulfanyl)but-1-ene (PubChem CID 123871455) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)but-1-ene.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)but-1-ene
PubChem CID123871455
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name2-(2-methoxyethylsulfanyl)but-1-ene
SMILESC=C(CC)SCCOC
InChIInChI=1S/C7H14OS/c1-4-7(2)9-6-5-8-3/h2,4-6H2,1,3H3
InChIKeyXUSCEQQQPPNXEH-UHFFFAOYSA-N
XLogP2.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 52.29
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 2-(2-methoxyethylsulfanyl)but-1-ene?
The IUPAC name of 2-(2-methoxyethylsulfanyl)but-1-ene (CID 123871455) is 2-(2-methoxyethylsulfanyl)but-1-ene.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)but-1-ene?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)but-1-ene is C=C(CC)SCCOC.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)but-1-ene?
The InChIKey is XUSCEQQQPPNXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-4-7(2)9-6-5-8-3/h2,4-6H2,1,3H3.
What are the key properties of 2-(2-methoxyethylsulfanyl)but-1-ene?
2-(2-methoxyethylsulfanyl)but-1-ene has a molecular weight of 146.25 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)but-1-ene is sourced from PubChem (CID 123871455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).