5-triethoxysilylpentane-2-thiol

C11H26O3SSi — CID 19834372

IUPAC5-triethoxysilylpentane-2-thiol
SMILESCCO[Si](CCCC(C)S)(OCC)OCC
InChIInChI=1S/C11H26O3SSi/c1-5-12-16(13-6-2,14-7-3)10-8-9-11(4)15/h11,15H,5-10H2,1-4H3
InChIKeyCWWBMBPMNCVIHJ-UHFFFAOYSA-N
MW266.48 g/mol
LogP3.13
Rot. Bonds10

About 5-triethoxysilylpentane-2-thiol

5-triethoxysilylpentane-2-thiol (PubChem CID 19834372) has the molecular formula C11H26O3SSi and a molecular weight of 266.48 g/mol. Its IUPAC name is 5-triethoxysilylpentane-2-thiol.

Molecular Properties

Compound Name5-triethoxysilylpentane-2-thiol
PubChem CID19834372
Molecular FormulaC11H26O3SSi
Molecular Weight266.48 g/mol
Exact Mass266.14
IUPAC Name5-triethoxysilylpentane-2-thiol
SMILESCCO[Si](CCCC(C)S)(OCC)OCC
InChIInChI=1S/C11H26O3SSi/c1-5-12-16(13-6-2,14-7-3)10-8-9-11(4)15/h11,15H,5-10H2,1-4H3
InChIKeyCWWBMBPMNCVIHJ-UHFFFAOYSA-N
XLogP3.13
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-[diethoxy(methoxy)silyl]butane-2-thiol
CID 22227180
4,6-dimethyl-1,9-bis(triethoxysilyl)nonan-5-one
CID 87593623
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
triethoxy-[[4-triethoxysilyl-1-(triethoxysilylmethoxy)butoxy]methyl]silane
CID 165129410
triethoxy-[(E)-4-methylhept-5-enyl]silane
CID 87112293
azane;3-triethoxysilylpropane-1-thiol
CID 174882567
29-triethoxysilylnonacosane-1-thiol
CID 87683851
20-triethoxysilylicosane-1-thiol
CID 87684173
4-tridodecoxysilylbutane-2-thiol
CID 22227191
7,9-dimethyl-1,15-bis(triethoxysilyl)pentadecan-8-one
CID 87594295
triethoxy(henicosyl)silane
CID 141362894
triethoxy-[3-(3-triethoxysilylpropoxy)propyl]silane
CID 22616805

Frequently Asked Questions

What is the IUPAC name of 5-triethoxysilylpentane-2-thiol?
The IUPAC name of 5-triethoxysilylpentane-2-thiol (CID 19834372) is 5-triethoxysilylpentane-2-thiol.
What is the SMILES notation for 5-triethoxysilylpentane-2-thiol?
The canonical SMILES for 5-triethoxysilylpentane-2-thiol is CCO[Si](CCCC(C)S)(OCC)OCC.
What is the InChIKey of 5-triethoxysilylpentane-2-thiol?
The InChIKey is CWWBMBPMNCVIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O3SSi/c1-5-12-16(13-6-2,14-7-3)10-8-9-11(4)15/h11,15H,5-10H2,1-4H3.
What are the key properties of 5-triethoxysilylpentane-2-thiol?
5-triethoxysilylpentane-2-thiol has a molecular weight of 266.48 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-triethoxysilylpentane-2-thiol is sourced from PubChem (CID 19834372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).