3-[3-ethylpentan-3-yloxy(methoxy)silyl]propane-1-thiol

C11H26O2SSi — CID 154305569

IUPAC3-[3-ethylpentan-3-yloxy(methoxy)silyl]propane-1-thiol
SMILESCCC(CC)(CC)O[SiH](CCCS)OC
InChIInChI=1S/C11H26O2SSi/c1-5-11(6-2,7-3)13-15(12-4)10-8-9-14/h14-15H,5-10H2,1-4H3
InChIKeyWJMRMRHCBWVFLY-UHFFFAOYSA-N
MW250.48 g/mol
LogP3.16
Rot. Bonds9

About 3-[3-ethylpentan-3-yloxy(methoxy)silyl]propane-1-thiol

3-[3-ethylpentan-3-yloxy(methoxy)silyl]propane-1-thiol (PubChem CID 154305569) has the molecular formula C11H26O2SSi and a molecular weight of 250.48 g/mol. Its IUPAC name is 3-[3-ethylpentan-3-yloxy(methoxy)silyl]propane-1-thiol.

Molecular Properties

Compound Name3-[3-ethylpentan-3-yloxy(methoxy)silyl]propane-1-thiol
PubChem CID154305569
Molecular FormulaC11H26O2SSi
Molecular Weight250.48 g/mol
Exact Mass250.14
IUPAC Name3-[3-ethylpentan-3-yloxy(methoxy)silyl]propane-1-thiol
SMILESCCC(CC)(CC)O[SiH](CCCS)OC
InChIInChI=1S/C11H26O2SSi/c1-5-11(6-2,7-3)13-15(12-4)10-8-9-14/h14-15H,5-10H2,1-4H3
InChIKeyWJMRMRHCBWVFLY-UHFFFAOYSA-N
XLogP3.16
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

heptadecyl(dimethoxy)silane
CID 173012112
dimethoxy(nonyl)silane
CID 154057580
docosyl(dimethoxy)silane
CID 150688039
dimethoxy(pentyl)silane;methanamine
CID 175165037
3-diethoxysilylpropyl(dimethoxy)silane
CID 59537920
[11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-silyloxyundecyl]-dimethoxysilane
CID 123296644
4-dimethoxysilyl-N,N-dimethylbutan-1-amine
CID 150995989
2,2-diethylbutyl(dimethoxy)silane
CID 173326801
tris(5-dimethoxysilylpentyl)silane
CID 123895491
[11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-methylundecyl]-dimethoxysilane
CID 123733042
butoxy-butyl-methoxysilane
CID 154072668
1-[methoxy(3-sulfanylpropyl)silyl]ethane-1,2-diol
CID 123832327

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethylpentan-3-yloxy(methoxy)silyl]propane-1-thiol?
The IUPAC name of 3-[3-ethylpentan-3-yloxy(methoxy)silyl]propane-1-thiol (CID 154305569) is 3-[3-ethylpentan-3-yloxy(methoxy)silyl]propane-1-thiol.
What is the SMILES notation for 3-[3-ethylpentan-3-yloxy(methoxy)silyl]propane-1-thiol?
The canonical SMILES for 3-[3-ethylpentan-3-yloxy(methoxy)silyl]propane-1-thiol is CCC(CC)(CC)O[SiH](CCCS)OC.
What is the InChIKey of 3-[3-ethylpentan-3-yloxy(methoxy)silyl]propane-1-thiol?
The InChIKey is WJMRMRHCBWVFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O2SSi/c1-5-11(6-2,7-3)13-15(12-4)10-8-9-14/h14-15H,5-10H2,1-4H3.
What are the key properties of 3-[3-ethylpentan-3-yloxy(methoxy)silyl]propane-1-thiol?
3-[3-ethylpentan-3-yloxy(methoxy)silyl]propane-1-thiol has a molecular weight of 250.48 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethylpentan-3-yloxy(methoxy)silyl]propane-1-thiol is sourced from PubChem (CID 154305569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).