4-[diethoxy(ethyl)silyl]butane-1-thiol

C10H24O2SSi — CID 18369741

IUPAC4-[diethoxy(ethyl)silyl]butane-1-thiol
SMILESCCO[Si](CC)(CCCCS)OCC
InChIInChI=1S/C10H24O2SSi/c1-4-11-14(6-3,12-5-2)10-8-7-9-13/h13H,4-10H2,1-3H3
InChIKeyLQMQMRDIAKCXNK-UHFFFAOYSA-N
MW236.45 g/mol
LogP3.23
Rot. Bonds9

About 4-[diethoxy(ethyl)silyl]butane-1-thiol

4-[diethoxy(ethyl)silyl]butane-1-thiol (PubChem CID 18369741) has the molecular formula C10H24O2SSi and a molecular weight of 236.45 g/mol. Its IUPAC name is 4-[diethoxy(ethyl)silyl]butane-1-thiol.

Molecular Properties

Compound Name4-[diethoxy(ethyl)silyl]butane-1-thiol
PubChem CID18369741
Molecular FormulaC10H24O2SSi
Molecular Weight236.45 g/mol
Exact Mass236.13
IUPAC Name4-[diethoxy(ethyl)silyl]butane-1-thiol
SMILESCCO[Si](CC)(CCCCS)OCC
InChIInChI=1S/C10H24O2SSi/c1-4-11-14(6-3,12-5-2)10-8-7-9-13/h13H,4-10H2,1-3H3
InChIKeyLQMQMRDIAKCXNK-UHFFFAOYSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.45
LogP ≤ 53.23
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': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

12-[diethoxy(ethyl)silyl]dodecane-1-thiol
CID 87831762
3-[diethoxy(ethyl)silyl]propyl-diethoxy-ethylsilane
CID 20761011
diethoxy-ethyl-tetradecylsilane
CID 139614055
diethoxy-ethyl-hexacosylsilane
CID 153322873
29-triethoxysilylnonacosane-1-thiol
CID 87683851
20-triethoxysilylicosane-1-thiol
CID 87684173
diethoxy-ethyl-(2-triethylsilylethyl)silane
CID 87220770
3-[diethoxy(ethyl)silyl]-N-methylpropan-1-amine
CID 141338832
18-[diethoxy(methoxy)silyl]octadecane-1-thiol
CID 87149231
ethoxy-ethyl-octyl-(2,2,2-trifluoroethoxy)silane
CID 172724919
diethoxy-heptadecyl-pentadecylsilane
CID 139614360
diethoxy-hexadecyl-tridecylsilane
CID 139614117

Frequently Asked Questions

What is the IUPAC name of 4-[diethoxy(ethyl)silyl]butane-1-thiol?
The IUPAC name of 4-[diethoxy(ethyl)silyl]butane-1-thiol (CID 18369741) is 4-[diethoxy(ethyl)silyl]butane-1-thiol.
What is the SMILES notation for 4-[diethoxy(ethyl)silyl]butane-1-thiol?
The canonical SMILES for 4-[diethoxy(ethyl)silyl]butane-1-thiol is CCO[Si](CC)(CCCCS)OCC.
What is the InChIKey of 4-[diethoxy(ethyl)silyl]butane-1-thiol?
The InChIKey is LQMQMRDIAKCXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24O2SSi/c1-4-11-14(6-3,12-5-2)10-8-7-9-13/h13H,4-10H2,1-3H3.
What are the key properties of 4-[diethoxy(ethyl)silyl]butane-1-thiol?
4-[diethoxy(ethyl)silyl]butane-1-thiol has a molecular weight of 236.45 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[diethoxy(ethyl)silyl]butane-1-thiol is sourced from PubChem (CID 18369741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).