3-tricyclopentyloxysilylpropane-1-thiol

C18H34O3SSi — CID 23341386

IUPAC3-tricyclopentyloxysilylpropane-1-thiol
SMILESSCCC[Si](OC1CCCC1)(OC1CCCC1)OC1CCCC1
InChIInChI=1S/C18H34O3SSi/c22-14-7-15-23(19-16-8-1-2-9-16,20-17-10-3-4-11-17)21-18-12-5-6-13-18/h16-18,22H,1-15H2
InChIKeyVTQFZABHLMWMJW-UHFFFAOYSA-N
MW358.62 g/mol
LogP5.12
Rot. Bonds9

About 3-tricyclopentyloxysilylpropane-1-thiol

3-tricyclopentyloxysilylpropane-1-thiol (PubChem CID 23341386) has the molecular formula C18H34O3SSi and a molecular weight of 358.62 g/mol. Its IUPAC name is 3-tricyclopentyloxysilylpropane-1-thiol.

Molecular Properties

Compound Name3-tricyclopentyloxysilylpropane-1-thiol
PubChem CID23341386
Molecular FormulaC18H34O3SSi
Molecular Weight358.62 g/mol
Exact Mass358.20
IUPAC Name3-tricyclopentyloxysilylpropane-1-thiol
SMILESSCCC[Si](OC1CCCC1)(OC1CCCC1)OC1CCCC1
InChIInChI=1S/C18H34O3SSi/c22-14-7-15-23(19-16-8-1-2-9-16,20-17-10-3-4-11-17)21-18-12-5-6-13-18/h16-18,22H,1-15H2
InChIKeyVTQFZABHLMWMJW-UHFFFAOYSA-N
XLogP5.12
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.62
LogP ≤ 55.12
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

3-chloropropyl(tricyclopentyloxy)silane
CID 141447825
hydron;3-trimethoxysilylpropane-1-thiol
CID 174944178
silane;3-trimethoxysilylpropane-1-thiol
CID 157336747
methoxysilane;3-trimethoxysilylpropane-1-thiol
CID 159282463
trichloro cyclohexyl silicate
CID 174839833
3-tris(trimethylsilyloxy)silylpropane-1-thiol
CID 18003138
cyclopentyloxy(trimethyl)silane
CID 554693
azane;3-triethoxysilylpropane-1-thiol
CID 174882567
9-(cyclohexylmethoxy)nonane-1-thiol
CID 105344448
3-trihexoxysilylpropane-1-thiol
CID 88832868
29-triethoxysilylnonacosane-1-thiol
CID 87683851
20-triethoxysilylicosane-1-thiol
CID 87684173

Frequently Asked Questions

What is the IUPAC name of 3-tricyclopentyloxysilylpropane-1-thiol?
The IUPAC name of 3-tricyclopentyloxysilylpropane-1-thiol (CID 23341386) is 3-tricyclopentyloxysilylpropane-1-thiol.
What is the SMILES notation for 3-tricyclopentyloxysilylpropane-1-thiol?
The canonical SMILES for 3-tricyclopentyloxysilylpropane-1-thiol is SCCC[Si](OC1CCCC1)(OC1CCCC1)OC1CCCC1.
What is the InChIKey of 3-tricyclopentyloxysilylpropane-1-thiol?
The InChIKey is VTQFZABHLMWMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3SSi/c22-14-7-15-23(19-16-8-1-2-9-16,20-17-10-3-4-11-17)21-18-12-5-6-13-18/h16-18,22H,1-15H2.
What are the key properties of 3-tricyclopentyloxysilylpropane-1-thiol?
3-tricyclopentyloxysilylpropane-1-thiol has a molecular weight of 358.62 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tricyclopentyloxysilylpropane-1-thiol is sourced from PubChem (CID 23341386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).