3-(3-trimethylsilylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol

C16H24OSSi — CID 171955555

IUPAC3-(3-trimethylsilylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol
SMILESC[Si](C)(C)c1cccc(C2(O)CC3CCC(C2)S3)c1
InChIInChI=1S/C16H24OSSi/c1-19(2,3)15-6-4-5-12(9-15)16(17)10-13-7-8-14(11-16)18-13/h4-6,9,13-14,17H,7-8,10-11H2,1-3H3
InChIKeyKPYJPOQDIHWWKC-UHFFFAOYSA-N
MW292.52 g/mol
LogP3.48
Rot. Bonds2

About 3-(3-trimethylsilylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol

3-(3-trimethylsilylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol (PubChem CID 171955555) has the molecular formula C16H24OSSi and a molecular weight of 292.52 g/mol. Its IUPAC name is 3-(3-trimethylsilylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(3-trimethylsilylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol
PubChem CID171955555
Molecular FormulaC16H24OSSi
Molecular Weight292.52 g/mol
Exact Mass292.13
IUPAC Name3-(3-trimethylsilylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol
SMILESC[Si](C)(C)c1cccc(C2(O)CC3CCC(C2)S3)c1
InChIInChI=1S/C16H24OSSi/c1-19(2,3)15-6-4-5-12(9-15)16(17)10-13-7-8-14(11-16)18-13/h4-6,9,13-14,17H,7-8,10-11H2,1-3H3
InChIKeyKPYJPOQDIHWWKC-UHFFFAOYSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-trimethylsilylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(3-trimethylsilylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol (CID 171955555) is 3-(3-trimethylsilylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(3-trimethylsilylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(3-trimethylsilylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol is C[Si](C)(C)c1cccc(C2(O)CC3CCC(C2)S3)c1.
What is the InChIKey of 3-(3-trimethylsilylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol?
The InChIKey is KPYJPOQDIHWWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24OSSi/c1-19(2,3)15-6-4-5-12(9-15)16(17)10-13-7-8-14(11-16)18-13/h4-6,9,13-14,17H,7-8,10-11H2,1-3H3.
What are the key properties of 3-(3-trimethylsilylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol?
3-(3-trimethylsilylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol has a molecular weight of 292.52 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-trimethylsilylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171955555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).