2-(3-methylsulfonylpropoxy)but-2-ene

C8H16O3S — CID 123377986

IUPAC2-(3-methylsulfonylpropoxy)but-2-ene
SMILESCC=C(C)OCCCS(C)(=O)=O
InChIInChI=1S/C8H16O3S/c1-4-8(2)11-6-5-7-12(3,9)10/h4H,5-7H2,1-3H3
InChIKeyFIYSCVVUQSJVHG-UHFFFAOYSA-N
MW192.28 g/mol
LogP1.36
Rot. Bonds5

About 2-(3-methylsulfonylpropoxy)but-2-ene

2-(3-methylsulfonylpropoxy)but-2-ene (PubChem CID 123377986) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-(3-methylsulfonylpropoxy)but-2-ene.

Molecular Properties

Compound Name2-(3-methylsulfonylpropoxy)but-2-ene
PubChem CID123377986
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name2-(3-methylsulfonylpropoxy)but-2-ene
SMILESCC=C(C)OCCCS(C)(=O)=O
InChIInChI=1S/C8H16O3S/c1-4-8(2)11-6-5-7-12(3,9)10/h4H,5-7H2,1-3H3
InChIKeyFIYSCVVUQSJVHG-UHFFFAOYSA-N
XLogP1.36
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

3-But-2-en-2-yloxythiolane 1,1-dioxide
CID 70631356
2-Ethoxy-3-propan-2-ylsulfonylprop-1-ene
CID 158746630
Ethoxyethane;3-methylsulfonylprop-1-ene
CID 174719328

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfonylpropoxy)but-2-ene?
The IUPAC name of 2-(3-methylsulfonylpropoxy)but-2-ene (CID 123377986) is 2-(3-methylsulfonylpropoxy)but-2-ene.
What is the SMILES notation for 2-(3-methylsulfonylpropoxy)but-2-ene?
The canonical SMILES for 2-(3-methylsulfonylpropoxy)but-2-ene is CC=C(C)OCCCS(C)(=O)=O.
What is the InChIKey of 2-(3-methylsulfonylpropoxy)but-2-ene?
The InChIKey is FIYSCVVUQSJVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-4-8(2)11-6-5-7-12(3,9)10/h4H,5-7H2,1-3H3.
What are the key properties of 2-(3-methylsulfonylpropoxy)but-2-ene?
2-(3-methylsulfonylpropoxy)but-2-ene has a molecular weight of 192.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfonylpropoxy)but-2-ene is sourced from PubChem (CID 123377986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).