1-(butyl-methyl-trimethylsilyloxysilyl)propane-1-thiol

C11H28OSSi2 — CID 150566152

IUPAC1-(butyl-methyl-trimethylsilyloxysilyl)propane-1-thiol
SMILESCCCC[Si](C)(O[Si](C)(C)C)C(S)CC
InChIInChI=1S/C11H28OSSi2/c1-7-9-10-15(6,11(13)8-2)12-14(3,4)5/h11,13H,7-10H2,1-6H3
InChIKeyIKWGMGJJHRKBRM-UHFFFAOYSA-N
MW264.58 g/mol
LogP4.46
Rot. Bonds7

About 1-(butyl-methyl-trimethylsilyloxysilyl)propane-1-thiol

1-(butyl-methyl-trimethylsilyloxysilyl)propane-1-thiol (PubChem CID 150566152) has the molecular formula C11H28OSSi2 and a molecular weight of 264.58 g/mol. Its IUPAC name is 1-(butyl-methyl-trimethylsilyloxysilyl)propane-1-thiol.

Molecular Properties

Compound Name1-(butyl-methyl-trimethylsilyloxysilyl)propane-1-thiol
PubChem CID150566152
Molecular FormulaC11H28OSSi2
Molecular Weight264.58 g/mol
Exact Mass264.14
IUPAC Name1-(butyl-methyl-trimethylsilyloxysilyl)propane-1-thiol
SMILESCCCC[Si](C)(O[Si](C)(C)C)C(S)CC
InChIInChI=1S/C11H28OSSi2/c1-7-9-10-15(6,11(13)8-2)12-14(3,4)5/h11,13H,7-10H2,1-6H3
InChIKeyIKWGMGJJHRKBRM-UHFFFAOYSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.58
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

butyl-tris(trimethylsilyloxy)silane
CID 19881442
butyl-bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilane
CID 20825042
dimethyl-pentyl-trimethylsilyloxysilane
CID 59128075
hexadecyl-methyl-bis(trimethylsilyloxy)silane
CID 71356149
dodecyl-tris(trimethylsilyloxy)silane
CID 23033816
hexan-2-yl-methyl-bis(trimethylsilyloxy)silane
CID 23582212
1-[dimethoxy(methyl)silyl]propane-1-thiol
CID 21264804
butoxy-butyl-methyl-nonan-5-ylsilane
CID 141433709
butan-2-yl-butyl-diethoxysilane
CID 23358225
tetrabutylstannane;trimethyl(trimethylsilyloxy)silane
CID 18413452
butyl-methyl-[methyl-(3-phenylpropyl)-trimethylsilyloxysilyl]oxy-trimethylsilyloxysilane
CID 58381839
[dimethyl(trimethylsilyloxy)silyl]oxy-hexadecyl-dimethylsilane
CID 150264689

Frequently Asked Questions

What is the IUPAC name of 1-(butyl-methyl-trimethylsilyloxysilyl)propane-1-thiol?
The IUPAC name of 1-(butyl-methyl-trimethylsilyloxysilyl)propane-1-thiol (CID 150566152) is 1-(butyl-methyl-trimethylsilyloxysilyl)propane-1-thiol.
What is the SMILES notation for 1-(butyl-methyl-trimethylsilyloxysilyl)propane-1-thiol?
The canonical SMILES for 1-(butyl-methyl-trimethylsilyloxysilyl)propane-1-thiol is CCCC[Si](C)(O[Si](C)(C)C)C(S)CC.
What is the InChIKey of 1-(butyl-methyl-trimethylsilyloxysilyl)propane-1-thiol?
The InChIKey is IKWGMGJJHRKBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28OSSi2/c1-7-9-10-15(6,11(13)8-2)12-14(3,4)5/h11,13H,7-10H2,1-6H3.
What are the key properties of 1-(butyl-methyl-trimethylsilyloxysilyl)propane-1-thiol?
1-(butyl-methyl-trimethylsilyloxysilyl)propane-1-thiol has a molecular weight of 264.58 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butyl-methyl-trimethylsilyloxysilyl)propane-1-thiol is sourced from PubChem (CID 150566152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).