tricyclopentyloxy-[1-(trisulfanyl)propyl]silane

C18H34O3S3Si — CID 18355896

IUPACtricyclopentyloxy-[1-(trisulfanyl)propyl]silane
SMILESCCC(SSS)[Si](OC1CCCC1)(OC1CCCC1)OC1CCCC1
InChIInChI=1S/C18H34O3S3Si/c1-2-18(23-24-22)25(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
InChIKeyCBJOMODCIMZHHK-UHFFFAOYSA-N
MW422.75 g/mol
LogP6.35
Rot. Bonds10

About tricyclopentyloxy-[1-(trisulfanyl)propyl]silane

tricyclopentyloxy-[1-(trisulfanyl)propyl]silane (PubChem CID 18355896) has the molecular formula C18H34O3S3Si and a molecular weight of 422.75 g/mol. Its IUPAC name is tricyclopentyloxy-[1-(trisulfanyl)propyl]silane.

Molecular Properties

Compound Nametricyclopentyloxy-[1-(trisulfanyl)propyl]silane
PubChem CID18355896
Molecular FormulaC18H34O3S3Si
Molecular Weight422.75 g/mol
Exact Mass422.14
IUPAC Nametricyclopentyloxy-[1-(trisulfanyl)propyl]silane
SMILESCCC(SSS)[Si](OC1CCCC1)(OC1CCCC1)OC1CCCC1
InChIInChI=1S/C18H34O3S3Si/c1-2-18(23-24-22)25(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
InChIKeyCBJOMODCIMZHHK-UHFFFAOYSA-N
XLogP6.35
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.75
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tricyclopentyloxy-[1-(trisulfanyl)propyl]silane?
The IUPAC name of tricyclopentyloxy-[1-(trisulfanyl)propyl]silane (CID 18355896) is tricyclopentyloxy-[1-(trisulfanyl)propyl]silane.
What is the SMILES notation for tricyclopentyloxy-[1-(trisulfanyl)propyl]silane?
The canonical SMILES for tricyclopentyloxy-[1-(trisulfanyl)propyl]silane is CCC(SSS)[Si](OC1CCCC1)(OC1CCCC1)OC1CCCC1.
What is the InChIKey of tricyclopentyloxy-[1-(trisulfanyl)propyl]silane?
The InChIKey is CBJOMODCIMZHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3S3Si/c1-2-18(23-24-22)25(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 tricyclopentyloxy-[1-(trisulfanyl)propyl]silane?
tricyclopentyloxy-[1-(trisulfanyl)propyl]silane has a molecular weight of 422.75 g/mol, XLogP of 6.35, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclopentyloxy-[1-(trisulfanyl)propyl]silane is sourced from PubChem (CID 18355896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).