1-trimethylsilylhexyl hydrogen sulfate

C9H22O4SSi — CID 19927062

IUPAC1-trimethylsilylhexyl hydrogen sulfate
SMILESCCCCCC(OS(=O)(=O)O)[Si](C)(C)C
InChIInChI=1S/C9H22O4SSi/c1-5-6-7-8-9(15(2,3)4)13-14(10,11)12/h9H,5-8H2,1-4H3,(H,10,11,12)
InChIKeyJUZYRPDBZNSRDE-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.63
Rot. Bonds7

About 1-trimethylsilylhexyl hydrogen sulfate

1-trimethylsilylhexyl hydrogen sulfate (PubChem CID 19927062) has the molecular formula C9H22O4SSi and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-trimethylsilylhexyl hydrogen sulfate.

Molecular Properties

Compound Name1-trimethylsilylhexyl hydrogen sulfate
PubChem CID19927062
Molecular FormulaC9H22O4SSi
Molecular Weight254.42 g/mol
Exact Mass254.10
IUPAC Name1-trimethylsilylhexyl hydrogen sulfate
SMILESCCCCCC(OS(=O)(=O)O)[Si](C)(C)C
InChIInChI=1S/C9H22O4SSi/c1-5-6-7-8-9(15(2,3)4)13-14(10,11)12/h9H,5-8H2,1-4H3,(H,10,11,12)
InChIKeyJUZYRPDBZNSRDE-UHFFFAOYSA-N
XLogP2.63
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

[(2R)-dodecan-2-yl] hydrogen sulfate
CID 101191211
1-(dimethylamino)docosyl hydrogen sulfate
CID 155092143
dodecan-5-yl hydrogen sulfate;zinc
CID 174762801
decan-3-yl hydrogen sulfate
CID 88755449
2-methyldecan-3-yl hydrogen sulfate
CID 154505461
3-methyltridecan-2-yl hydrogen sulfate
CID 134207540
1-hydroxyhenicosan-3-yl hydrogen sulfate
CID 150445681
2-sulfooxydecan-3-yl hydrogen sulfate
CID 21409613
7-hydroxyheptadecan-8-yl hydrogen sulfate
CID 158526306
1-(dimethylamino)tetradecan-2-yl hydrogen sulfate
CID 88639547
dimethyl(2-sulfooxydodecyl)sulfanium
CID 134927998
2-oxononadecan-10-yl hydrogen sulfate
CID 158336090

Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilylhexyl hydrogen sulfate?
The IUPAC name of 1-trimethylsilylhexyl hydrogen sulfate (CID 19927062) is 1-trimethylsilylhexyl hydrogen sulfate.
What is the SMILES notation for 1-trimethylsilylhexyl hydrogen sulfate?
The canonical SMILES for 1-trimethylsilylhexyl hydrogen sulfate is CCCCCC(OS(=O)(=O)O)[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilylhexyl hydrogen sulfate?
The InChIKey is JUZYRPDBZNSRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O4SSi/c1-5-6-7-8-9(15(2,3)4)13-14(10,11)12/h9H,5-8H2,1-4H3,(H,10,11,12).
What are the key properties of 1-trimethylsilylhexyl hydrogen sulfate?
1-trimethylsilylhexyl hydrogen sulfate has a molecular weight of 254.42 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylhexyl hydrogen sulfate is sourced from PubChem (CID 19927062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).