4-(2-methoxyethylsulfanyl)but-1-ene

C7H14OS — CID 130683358

IUPAC4-(2-methoxyethylsulfanyl)but-1-ene
SMILESC=CCCSCCOC
InChIInChI=1S/C7H14OS/c1-3-4-6-9-7-5-8-2/h3H,1,4-7H2,2H3
InChIKeyNBUFPLLBECJNAN-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.94
Rot. Bonds6

About 4-(2-methoxyethylsulfanyl)but-1-ene

4-(2-methoxyethylsulfanyl)but-1-ene (PubChem CID 130683358) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfanyl)but-1-ene.

Molecular Properties

Compound Name4-(2-methoxyethylsulfanyl)but-1-ene
PubChem CID130683358
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name4-(2-methoxyethylsulfanyl)but-1-ene
SMILESC=CCCSCCOC
InChIInChI=1S/C7H14OS/c1-3-4-6-9-7-5-8-2/h3H,1,4-7H2,2H3
InChIKeyNBUFPLLBECJNAN-UHFFFAOYSA-N
XLogP1.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfanyl)but-1-ene?
The IUPAC name of 4-(2-methoxyethylsulfanyl)but-1-ene (CID 130683358) is 4-(2-methoxyethylsulfanyl)but-1-ene.
What is the SMILES notation for 4-(2-methoxyethylsulfanyl)but-1-ene?
The canonical SMILES for 4-(2-methoxyethylsulfanyl)but-1-ene is C=CCCSCCOC.
What is the InChIKey of 4-(2-methoxyethylsulfanyl)but-1-ene?
The InChIKey is NBUFPLLBECJNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-3-4-6-9-7-5-8-2/h3H,1,4-7H2,2H3.
What are the key properties of 4-(2-methoxyethylsulfanyl)but-1-ene?
4-(2-methoxyethylsulfanyl)but-1-ene has a molecular weight of 146.25 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfanyl)but-1-ene is sourced from PubChem (CID 130683358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).