oct-6-ene-1-sulfonyl chloride

C8H15ClO2S — CID 54277138

IUPACoct-6-ene-1-sulfonyl chloride
SMILESCC=CCCCCCS(=O)(=O)Cl
InChIInChI=1S/C8H15ClO2S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-3H,4-8H2,1H3
InChIKeyROEQLKAQPMMTGJ-UHFFFAOYSA-N
MW210.73 g/mol
LogP2.69
Rot. Bonds6

About oct-6-ene-1-sulfonyl chloride

oct-6-ene-1-sulfonyl chloride (PubChem CID 54277138) has the molecular formula C8H15ClO2S and a molecular weight of 210.73 g/mol. Its IUPAC name is oct-6-ene-1-sulfonyl chloride.

Molecular Properties

Compound Nameoct-6-ene-1-sulfonyl chloride
PubChem CID54277138
Molecular FormulaC8H15ClO2S
Molecular Weight210.73 g/mol
Exact Mass210.05
IUPAC Nameoct-6-ene-1-sulfonyl chloride
SMILESCC=CCCCCCS(=O)(=O)Cl
InChIInChI=1S/C8H15ClO2S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-3H,4-8H2,1H3
InChIKeyROEQLKAQPMMTGJ-UHFFFAOYSA-N
XLogP2.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.73
LogP ≤ 52.69
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 oct-6-ene-1-sulfonyl chloride?
The IUPAC name of oct-6-ene-1-sulfonyl chloride (CID 54277138) is oct-6-ene-1-sulfonyl chloride.
What is the SMILES notation for oct-6-ene-1-sulfonyl chloride?
The canonical SMILES for oct-6-ene-1-sulfonyl chloride is CC=CCCCCCS(=O)(=O)Cl.
What is the InChIKey of oct-6-ene-1-sulfonyl chloride?
The InChIKey is ROEQLKAQPMMTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO2S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-3H,4-8H2,1H3.
What are the key properties of oct-6-ene-1-sulfonyl chloride?
oct-6-ene-1-sulfonyl chloride has a molecular weight of 210.73 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oct-6-ene-1-sulfonyl chloride is sourced from PubChem (CID 54277138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).