(Z)-4-methoxybut-1-ene-1-sulfonyl chloride

C5H9ClO3S — CID 117265857

IUPAC(Z)-4-methoxybut-1-ene-1-sulfonyl chloride
SMILESCOCC/C=C\S(=O)(=O)Cl
InChIInChI=1S/C5H9ClO3S/c1-9-4-2-3-5-10(6,7)8/h3,5H,2,4H2,1H3/b5-3-
InChIKeyJJIUHHDZQRPEMB-HYXAFXHYSA-N
MW184.64 g/mol
LogP1.11
Rot. Bonds4

About (Z)-4-methoxybut-1-ene-1-sulfonyl chloride

(Z)-4-methoxybut-1-ene-1-sulfonyl chloride (PubChem CID 117265857) has the molecular formula C5H9ClO3S and a molecular weight of 184.64 g/mol. Its IUPAC name is (Z)-4-methoxybut-1-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name(Z)-4-methoxybut-1-ene-1-sulfonyl chloride
PubChem CID117265857
Molecular FormulaC5H9ClO3S
Molecular Weight184.64 g/mol
Exact Mass184.00
IUPAC Name(Z)-4-methoxybut-1-ene-1-sulfonyl chloride
SMILESCOCC/C=C\S(=O)(=O)Cl
InChIInChI=1S/C5H9ClO3S/c1-9-4-2-3-5-10(6,7)8/h3,5H,2,4H2,1H3/b5-3-
InChIKeyJJIUHHDZQRPEMB-HYXAFXHYSA-N
XLogP1.11
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.64
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-but-1-ene-1-sulfonyl chloride
CID 117265958
(Z)-5-methoxypent-2-ene
CID 59946556
methyl (E)-5-methoxypent-2-enoate
CID 11116178
(E)-1-methoxyhept-3-ene
CID 13049937
(E)-1-methoxyhex-3-ene
CID 5364208
2-methoxyethanesulfonyl chloride
CID 13480221
3-methoxypropanal;titanium
CID 87154259
N-(2-methoxyethyl)sulfamoyl chloride
CID 22326608
methyl pent-1-ene-1-sulfonate
CID 76785645
1,2-dimethoxyethane;tetrachlorotungsten
CID 11429944
1,2-dimethoxyethane;tetrachlorohafnium
CID 87899976
1,3-dimethoxypropane-2-sulfonyl chloride
CID 122163174

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methoxybut-1-ene-1-sulfonyl chloride?
The IUPAC name of (Z)-4-methoxybut-1-ene-1-sulfonyl chloride (CID 117265857) is (Z)-4-methoxybut-1-ene-1-sulfonyl chloride.
What is the SMILES notation for (Z)-4-methoxybut-1-ene-1-sulfonyl chloride?
The canonical SMILES for (Z)-4-methoxybut-1-ene-1-sulfonyl chloride is COCC/C=C\S(=O)(=O)Cl.
What is the InChIKey of (Z)-4-methoxybut-1-ene-1-sulfonyl chloride?
The InChIKey is JJIUHHDZQRPEMB-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H9ClO3S/c1-9-4-2-3-5-10(6,7)8/h3,5H,2,4H2,1H3/b5-3-.
What are the key properties of (Z)-4-methoxybut-1-ene-1-sulfonyl chloride?
(Z)-4-methoxybut-1-ene-1-sulfonyl chloride has a molecular weight of 184.64 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methoxybut-1-ene-1-sulfonyl chloride is sourced from PubChem (CID 117265857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).