2-ethenylsulfonyl-4-methoxybut-1-ene

C7H12O3S — CID 57071610

IUPAC2-ethenylsulfonyl-4-methoxybut-1-ene
SMILESC=CS(=O)(=O)C(=C)CCOC
InChIInChI=1S/C7H12O3S/c1-4-11(8,9)7(2)5-6-10-3/h4H,1-2,5-6H2,3H3
InChIKeySEXJVSMCPKUDKM-UHFFFAOYSA-N
MW176.24 g/mol
LogP1.09
Rot. Bonds5

About 2-ethenylsulfonyl-4-methoxybut-1-ene

2-ethenylsulfonyl-4-methoxybut-1-ene (PubChem CID 57071610) has the molecular formula C7H12O3S and a molecular weight of 176.24 g/mol. Its IUPAC name is 2-ethenylsulfonyl-4-methoxybut-1-ene.

Molecular Properties

Compound Name2-ethenylsulfonyl-4-methoxybut-1-ene
PubChem CID57071610
Molecular FormulaC7H12O3S
Molecular Weight176.24 g/mol
Exact Mass176.05
IUPAC Name2-ethenylsulfonyl-4-methoxybut-1-ene
SMILESC=CS(=O)(=O)C(=C)CCOC
InChIInChI=1S/C7H12O3S/c1-4-11(8,9)7(2)5-6-10-3/h4H,1-2,5-6H2,3H3
InChIKeySEXJVSMCPKUDKM-UHFFFAOYSA-N
XLogP1.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfonyl-4-methoxybut-1-ene?
The IUPAC name of 2-ethenylsulfonyl-4-methoxybut-1-ene (CID 57071610) is 2-ethenylsulfonyl-4-methoxybut-1-ene.
What is the SMILES notation for 2-ethenylsulfonyl-4-methoxybut-1-ene?
The canonical SMILES for 2-ethenylsulfonyl-4-methoxybut-1-ene is C=CS(=O)(=O)C(=C)CCOC.
What is the InChIKey of 2-ethenylsulfonyl-4-methoxybut-1-ene?
The InChIKey is SEXJVSMCPKUDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3S/c1-4-11(8,9)7(2)5-6-10-3/h4H,1-2,5-6H2,3H3.
What are the key properties of 2-ethenylsulfonyl-4-methoxybut-1-ene?
2-ethenylsulfonyl-4-methoxybut-1-ene has a molecular weight of 176.24 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfonyl-4-methoxybut-1-ene is sourced from PubChem (CID 57071610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).