[dimethyl(octyl)silyl] butane-1-sulfonate

C14H32O3SSi — CID 90964254

IUPAC[dimethyl(octyl)silyl] butane-1-sulfonate
SMILESCCCCCCCC[Si](C)(C)OS(=O)(=O)CCCC
InChIInChI=1S/C14H32O3SSi/c1-5-7-9-10-11-12-14-19(3,4)17-18(15,16)13-8-6-2/h5-14H2,1-4H3
InChIKeyILPFCXOINBVRFP-UHFFFAOYSA-N
MW308.56 g/mol
LogP4.70
Rot. Bonds12

About [dimethyl(octyl)silyl] butane-1-sulfonate

[dimethyl(octyl)silyl] butane-1-sulfonate (PubChem CID 90964254) has the molecular formula C14H32O3SSi and a molecular weight of 308.56 g/mol. Its IUPAC name is [dimethyl(octyl)silyl] butane-1-sulfonate.

Molecular Properties

Compound Name[dimethyl(octyl)silyl] butane-1-sulfonate
PubChem CID90964254
Molecular FormulaC14H32O3SSi
Molecular Weight308.56 g/mol
Exact Mass308.18
IUPAC Name[dimethyl(octyl)silyl] butane-1-sulfonate
SMILESCCCCCCCC[Si](C)(C)OS(=O)(=O)CCCC
InChIInChI=1S/C14H32O3SSi/c1-5-7-9-10-11-12-14-19(3,4)17-18(15,16)13-8-6-2/h5-14H2,1-4H3
InChIKeyILPFCXOINBVRFP-UHFFFAOYSA-N
XLogP4.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.56
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[ethyl(dimethyl)silyl] butane-1-sulfonate
CID 91419069
decyl-[hexyl(dimethyl)silyl]oxy-dimethylsilane
CID 139697813
[dimethyl(tricosyl)silyl]oxy-dimethyl-tricosylsilane
CID 141102746
heptyl-[heptyl(dimethyl)silyl]oxy-dimethylsilane
CID 12566776
ethyl decane-1-sulfonate
CID 22672297
ethyl dodecane-1-sulfonate
CID 91372072
ethyl nonane-1-sulfonate
CID 152681372
methoxy-dimethyl-nonylsilane
CID 58695494
hexadecyl-methoxy-dimethylsilane
CID 22228661
azane;ethyl hexane-1-sulfonate
CID 174617270
dimethyl-silyloxy-tetradecylsilane
CID 173171892
phosphanyl tetradecane-1-sulfonate
CID 139601424

Frequently Asked Questions

What is the IUPAC name of [dimethyl(octyl)silyl] butane-1-sulfonate?
The IUPAC name of [dimethyl(octyl)silyl] butane-1-sulfonate (CID 90964254) is [dimethyl(octyl)silyl] butane-1-sulfonate.
What is the SMILES notation for [dimethyl(octyl)silyl] butane-1-sulfonate?
The canonical SMILES for [dimethyl(octyl)silyl] butane-1-sulfonate is CCCCCCCC[Si](C)(C)OS(=O)(=O)CCCC.
What is the InChIKey of [dimethyl(octyl)silyl] butane-1-sulfonate?
The InChIKey is ILPFCXOINBVRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O3SSi/c1-5-7-9-10-11-12-14-19(3,4)17-18(15,16)13-8-6-2/h5-14H2,1-4H3.
What are the key properties of [dimethyl(octyl)silyl] butane-1-sulfonate?
[dimethyl(octyl)silyl] butane-1-sulfonate has a molecular weight of 308.56 g/mol, XLogP of 4.70, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(octyl)silyl] butane-1-sulfonate is sourced from PubChem (CID 90964254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).