1-chlorosulfonyloxyhexane

C6H13ClO3S — CID 55280142

IUPAC1-chlorosulfonyloxyhexane
SMILESCCCCCCOS(=O)(=O)Cl
InChIInChI=1S/C6H13ClO3S/c1-2-3-4-5-6-10-11(7,8)9/h2-6H2,1H3
InChIKeyOGDVIRJRINYWMX-UHFFFAOYSA-N
MW200.69 g/mol
LogP2.07
Rot. Bonds6

About 1-chlorosulfonyloxyhexane

1-chlorosulfonyloxyhexane (PubChem CID 55280142) has the molecular formula C6H13ClO3S and a molecular weight of 200.69 g/mol. Its IUPAC name is 1-chlorosulfonyloxyhexane.

Molecular Properties

Compound Name1-chlorosulfonyloxyhexane
PubChem CID55280142
Molecular FormulaC6H13ClO3S
Molecular Weight200.69 g/mol
Exact Mass200.03
IUPAC Name1-chlorosulfonyloxyhexane
SMILESCCCCCCOS(=O)(=O)Cl
InChIInChI=1S/C6H13ClO3S/c1-2-3-4-5-6-10-11(7,8)9/h2-6H2,1H3
InChIKeyOGDVIRJRINYWMX-UHFFFAOYSA-N
XLogP2.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 52.07
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

Sodium Hexyl Sulfate
CID 23678858
Hexyl sulfate
CID 3968640
Hexyl Sulfamate
CID 87432
Sulfuric acid monohexyl ester
CID 75157
Heptyl sulfate
CID 22497782
Hexyl sulfurofluoridate
CID 13414497
Dihexyl sulfate
CID 14747182
Sulfuric acid, monohexyl ester, potassium salt (1:1)
CID 23668628
Pentyl chlorosulfate
CID 18520026
Hexane sufonate
CID 20316876
Ethylhexyl sulfate
CID 21932421
Pentyl sulfurochloridoite
CID 71389966

Frequently Asked Questions

What is the IUPAC name of 1-chlorosulfonyloxyhexane?
The IUPAC name of 1-chlorosulfonyloxyhexane (CID 55280142) is 1-chlorosulfonyloxyhexane.
What is the SMILES notation for 1-chlorosulfonyloxyhexane?
The canonical SMILES for 1-chlorosulfonyloxyhexane is CCCCCCOS(=O)(=O)Cl.
What is the InChIKey of 1-chlorosulfonyloxyhexane?
The InChIKey is OGDVIRJRINYWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClO3S/c1-2-3-4-5-6-10-11(7,8)9/h2-6H2,1H3.
What are the key properties of 1-chlorosulfonyloxyhexane?
1-chlorosulfonyloxyhexane has a molecular weight of 200.69 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorosulfonyloxyhexane is sourced from PubChem (CID 55280142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).