5,5,5-trimethoxy-4-silyloxypentane-1-thiol

C8H20O4SSi — CID 173313502

IUPAC5,5,5-trimethoxy-4-silyloxypentane-1-thiol
SMILESCOC(OC)(OC)C(CCCS)O[SiH3]
InChIInChI=1S/C8H20O4SSi/c1-9-8(10-2,11-3)7(12-14)5-4-6-13/h7,13H,4-6H2,1-3,14H3
InChIKeyFSKBKWXFSINOBI-UHFFFAOYSA-N
MW240.40 g/mol
LogP-0.05
Rot. Bonds8

About 5,5,5-trimethoxy-4-silyloxypentane-1-thiol

5,5,5-trimethoxy-4-silyloxypentane-1-thiol (PubChem CID 173313502) has the molecular formula C8H20O4SSi and a molecular weight of 240.40 g/mol. Its IUPAC name is 5,5,5-trimethoxy-4-silyloxypentane-1-thiol.

Molecular Properties

Compound Name5,5,5-trimethoxy-4-silyloxypentane-1-thiol
PubChem CID173313502
Molecular FormulaC8H20O4SSi
Molecular Weight240.40 g/mol
Exact Mass240.09
IUPAC Name5,5,5-trimethoxy-4-silyloxypentane-1-thiol
SMILESCOC(OC)(OC)C(CCCS)O[SiH3]
InChIInChI=1S/C8H20O4SSi/c1-9-8(10-2,11-3)7(12-14)5-4-6-13/h7,13H,4-6H2,1-3,14H3
InChIKeyFSKBKWXFSINOBI-UHFFFAOYSA-N
XLogP-0.05
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.40
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-5-methyl-5-silyloxyhexane-1-thiol
CID 174107415
6-methoxy-4-silylhexane-1-thiol
CID 175438758
CID 173368229
CID 173368229
4-[tris(methylperoxy)methyl]dodecane-1-thiol
CID 151191840
1,1,1-trimethoxydecan-2-yl acetate
CID 151973856
methoxysilane;3-trimethoxysilylpropane-1-thiol
CID 159282463
4-fluoropentane-1-thiol
CID 87282782
undecane-1,4,8,11-tetrathiol
CID 57041789
butane-1,1,4-trithiol
CID 90930217
1,1,2-trimethoxy-1-silyl-5-sulfanylpentan-2-ol
CID 174760272
2-[dimethoxy(methyl)silyl]-5-sulfanylpentan-1-ol
CID 175127070
1,1,1,2-tetramethoxydecane;4-(triethoxymethyl)dodecane
CID 159659931

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trimethoxy-4-silyloxypentane-1-thiol?
The IUPAC name of 5,5,5-trimethoxy-4-silyloxypentane-1-thiol (CID 173313502) is 5,5,5-trimethoxy-4-silyloxypentane-1-thiol.
What is the SMILES notation for 5,5,5-trimethoxy-4-silyloxypentane-1-thiol?
The canonical SMILES for 5,5,5-trimethoxy-4-silyloxypentane-1-thiol is COC(OC)(OC)C(CCCS)O[SiH3].
What is the InChIKey of 5,5,5-trimethoxy-4-silyloxypentane-1-thiol?
The InChIKey is FSKBKWXFSINOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O4SSi/c1-9-8(10-2,11-3)7(12-14)5-4-6-13/h7,13H,4-6H2,1-3,14H3.
What are the key properties of 5,5,5-trimethoxy-4-silyloxypentane-1-thiol?
5,5,5-trimethoxy-4-silyloxypentane-1-thiol has a molecular weight of 240.40 g/mol, XLogP of -0.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trimethoxy-4-silyloxypentane-1-thiol is sourced from PubChem (CID 173313502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).