1-chlorosulfonyloxyoctane

C8H17ClO3S — CID 54334787

IUPAC1-chlorosulfonyloxyoctane
SMILESCCCCCCCCOS(=O)(=O)Cl
InChIInChI=1S/C8H17ClO3S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3
InChIKeyTURLJFFLXVPMPG-UHFFFAOYSA-N
MW228.74 g/mol
LogP2.85
Rot. Bonds8

About 1-chlorosulfonyloxyoctane

1-chlorosulfonyloxyoctane (PubChem CID 54334787) has the molecular formula C8H17ClO3S and a molecular weight of 228.74 g/mol. Its IUPAC name is 1-chlorosulfonyloxyoctane.

Molecular Properties

Compound Name1-chlorosulfonyloxyoctane
PubChem CID54334787
Molecular FormulaC8H17ClO3S
Molecular Weight228.74 g/mol
Exact Mass228.06
IUPAC Name1-chlorosulfonyloxyoctane
SMILESCCCCCCCCOS(=O)(=O)Cl
InChIInChI=1S/C8H17ClO3S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3
InChIKeyTURLJFFLXVPMPG-UHFFFAOYSA-N
XLogP2.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.74
LogP ≤ 52.85
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

1-chlorosulfonyloxybutane
CID 13310121
ditetracosyl sulfate
CID 101286725
pentyl undecyl sulfate
CID 174900896
dodecyl sulfamate;indigane
CID 174847120
sodium dihexadecyl sulfate
CID 23616668
butyl hexadecyl sulfate
CID 174632644
magnesium dihexyl sulfate
CID 21125103
azanium didodecyl sulfate
CID 23617704
decyl hydrogen sulfate;dodecyl hydrogen sulfate
CID 87746197
diheptoxy-oxo-sulfanylidene-λ6-sulfane
CID 174817638
2-aminoethyl dodecyl sulfate
CID 87208961
pentyl ethanesulfonate
CID 19609002

Frequently Asked Questions

What is the IUPAC name of 1-chlorosulfonyloxyoctane?
The IUPAC name of 1-chlorosulfonyloxyoctane (CID 54334787) is 1-chlorosulfonyloxyoctane.
What is the SMILES notation for 1-chlorosulfonyloxyoctane?
The canonical SMILES for 1-chlorosulfonyloxyoctane is CCCCCCCCOS(=O)(=O)Cl.
What is the InChIKey of 1-chlorosulfonyloxyoctane?
The InChIKey is TURLJFFLXVPMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClO3S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3.
What are the key properties of 1-chlorosulfonyloxyoctane?
1-chlorosulfonyloxyoctane has a molecular weight of 228.74 g/mol, XLogP of 2.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorosulfonyloxyoctane is sourced from PubChem (CID 54334787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).