6-trimethylsilylhexyl hydrogen sulfate

C9H22O4SSi — CID 54504627

IUPAC6-trimethylsilylhexyl hydrogen sulfate
SMILESC[Si](C)(C)CCCCCCOS(=O)(=O)O
InChIInChI=1S/C9H22O4SSi/c1-15(2,3)9-7-5-4-6-8-13-14(10,11)12/h4-9H2,1-3H3,(H,10,11,12)
InChIKeyYEVAHAXXMLZARQ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.70
Rot. Bonds8

About 6-trimethylsilylhexyl hydrogen sulfate

6-trimethylsilylhexyl hydrogen sulfate (PubChem CID 54504627) has the molecular formula C9H22O4SSi and a molecular weight of 254.42 g/mol. Its IUPAC name is 6-trimethylsilylhexyl hydrogen sulfate.

Molecular Properties

Compound Name6-trimethylsilylhexyl hydrogen sulfate
PubChem CID54504627
Molecular FormulaC9H22O4SSi
Molecular Weight254.42 g/mol
Exact Mass254.10
IUPAC Name6-trimethylsilylhexyl hydrogen sulfate
SMILESC[Si](C)(C)CCCCCCOS(=O)(=O)O
InChIInChI=1S/C9H22O4SSi/c1-15(2,3)9-7-5-4-6-8-13-14(10,11)12/h4-9H2,1-3H3,(H,10,11,12)
InChIKeyYEVAHAXXMLZARQ-UHFFFAOYSA-N
XLogP2.70
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.70
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'}

Analyze 6-trimethylsilylhexyl hydrogen sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

decyl hydrogen sulfate;dodecyl hydrogen sulfate
CID 87746197
Sodiumn-tridecylsulphate
CID 131877406
CID 87182380
CID 87182380
tridecyl hydrogen sulfate;hydrate
CID 88668618
magnesium icosyl hydrogen sulfate
CID 21125099
alumane;octadecyl hydrogen sulfate
CID 175420064
azanium decyl hydrogen sulfate
CID 21115891
CID 170845374
CID 170845374
16-hydroxyhexadecyl hydrogen sulfate
CID 57207940
sodium;dodecyl hydrogen sulfate;hydride
CID 173193135
19-oxoicosyl hydrogen sulfate
CID 88640625
3-trimethoxysilylpropyl hydrogen sulfate
CID 89396321

Frequently Asked Questions

What is the IUPAC name of 6-trimethylsilylhexyl hydrogen sulfate?
The IUPAC name of 6-trimethylsilylhexyl hydrogen sulfate (CID 54504627) is 6-trimethylsilylhexyl hydrogen sulfate.
What is the SMILES notation for 6-trimethylsilylhexyl hydrogen sulfate?
The canonical SMILES for 6-trimethylsilylhexyl hydrogen sulfate is C[Si](C)(C)CCCCCCOS(=O)(=O)O.
What is the InChIKey of 6-trimethylsilylhexyl hydrogen sulfate?
The InChIKey is YEVAHAXXMLZARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O4SSi/c1-15(2,3)9-7-5-4-6-8-13-14(10,11)12/h4-9H2,1-3H3,(H,10,11,12).
What are the key properties of 6-trimethylsilylhexyl hydrogen sulfate?
6-trimethylsilylhexyl hydrogen sulfate has a molecular weight of 254.42 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-trimethylsilylhexyl hydrogen sulfate is sourced from PubChem (CID 54504627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).