1-tricyclopentyloxysilylpropane-1-thiol

C18H34O3SSi — CID 21491793

IUPAC1-tricyclopentyloxysilylpropane-1-thiol
SMILESCCC(S)[Si](OC1CCCC1)(OC1CCCC1)OC1CCCC1
InChIInChI=1S/C18H34O3SSi/c1-2-18(22)23(19-15-9-3-4-10-15,20-16-11-5-6-12-16)21-17-13-7-8-14-17/h15-18,22H,2-14H2,1H3
InChIKeyOIIQEUOZWLGWMX-UHFFFAOYSA-N
MW358.62 g/mol
LogP5.05
Rot. Bonds8

About 1-tricyclopentyloxysilylpropane-1-thiol

1-tricyclopentyloxysilylpropane-1-thiol (PubChem CID 21491793) has the molecular formula C18H34O3SSi and a molecular weight of 358.62 g/mol. Its IUPAC name is 1-tricyclopentyloxysilylpropane-1-thiol.

Molecular Properties

Compound Name1-tricyclopentyloxysilylpropane-1-thiol
PubChem CID21491793
Molecular FormulaC18H34O3SSi
Molecular Weight358.62 g/mol
Exact Mass358.20
IUPAC Name1-tricyclopentyloxysilylpropane-1-thiol
SMILESCCC(S)[Si](OC1CCCC1)(OC1CCCC1)OC1CCCC1
InChIInChI=1S/C18H34O3SSi/c1-2-18(22)23(19-15-9-3-4-10-15,20-16-11-5-6-12-16)21-17-13-7-8-14-17/h15-18,22H,2-14H2,1H3
InChIKeyOIIQEUOZWLGWMX-UHFFFAOYSA-N
XLogP5.05
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.62
LogP ≤ 55.05
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

Tricyclopentyloxy-[1-(trisulfanyl)propyl]silane
CID 18355896
3-Tricyclopentyloxysilylpropane-1-thiol
CID 23341386
Tricyclopentyloxy(propyl)silane
CID 54563384
Tricyclopentyloxy(ethyl)silane
CID 170693105
Butyl(tricyclopentyloxy)silane
CID 178613697

Frequently Asked Questions

What is the IUPAC name of 1-tricyclopentyloxysilylpropane-1-thiol?
The IUPAC name of 1-tricyclopentyloxysilylpropane-1-thiol (CID 21491793) is 1-tricyclopentyloxysilylpropane-1-thiol.
What is the SMILES notation for 1-tricyclopentyloxysilylpropane-1-thiol?
The canonical SMILES for 1-tricyclopentyloxysilylpropane-1-thiol is CCC(S)[Si](OC1CCCC1)(OC1CCCC1)OC1CCCC1.
What is the InChIKey of 1-tricyclopentyloxysilylpropane-1-thiol?
The InChIKey is OIIQEUOZWLGWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3SSi/c1-2-18(22)23(19-15-9-3-4-10-15,20-16-11-5-6-12-16)21-17-13-7-8-14-17/h15-18,22H,2-14H2,1H3.
What are the key properties of 1-tricyclopentyloxysilylpropane-1-thiol?
1-tricyclopentyloxysilylpropane-1-thiol has a molecular weight of 358.62 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tricyclopentyloxysilylpropane-1-thiol is sourced from PubChem (CID 21491793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).