1-(2,2-dimethyloxasilinan-6-yl)propane-1-thiol

C9H20OSSi — CID 88829184

IUPAC1-(2,2-dimethyloxasilinan-6-yl)propane-1-thiol
SMILESCCC(S)C1CCC[Si](C)(C)O1
InChIInChI=1S/C9H20OSSi/c1-4-9(11)8-6-5-7-12(2,3)10-8/h8-9,11H,4-7H2,1-3H3
InChIKeyLRULBJXFQFDCJU-UHFFFAOYSA-N
MW204.41 g/mol
LogP3.08
Rot. Bonds2

About 1-(2,2-dimethyloxasilinan-6-yl)propane-1-thiol

1-(2,2-dimethyloxasilinan-6-yl)propane-1-thiol (PubChem CID 88829184) has the molecular formula C9H20OSSi and a molecular weight of 204.41 g/mol. Its IUPAC name is 1-(2,2-dimethyloxasilinan-6-yl)propane-1-thiol.

Molecular Properties

Compound Name1-(2,2-dimethyloxasilinan-6-yl)propane-1-thiol
PubChem CID88829184
Molecular FormulaC9H20OSSi
Molecular Weight204.41 g/mol
Exact Mass204.10
IUPAC Name1-(2,2-dimethyloxasilinan-6-yl)propane-1-thiol
SMILESCCC(S)C1CCC[Si](C)(C)O1
InChIInChI=1S/C9H20OSSi/c1-4-9(11)8-6-5-7-12(2,3)10-8/h8-9,11H,4-7H2,1-3H3
InChIKeyLRULBJXFQFDCJU-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 1-(2,2-dimethyloxasilinan-6-yl)propane-1-thiol?
The IUPAC name of 1-(2,2-dimethyloxasilinan-6-yl)propane-1-thiol (CID 88829184) is 1-(2,2-dimethyloxasilinan-6-yl)propane-1-thiol.
What is the SMILES notation for 1-(2,2-dimethyloxasilinan-6-yl)propane-1-thiol?
The canonical SMILES for 1-(2,2-dimethyloxasilinan-6-yl)propane-1-thiol is CCC(S)C1CCC[Si](C)(C)O1.
What is the InChIKey of 1-(2,2-dimethyloxasilinan-6-yl)propane-1-thiol?
The InChIKey is LRULBJXFQFDCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OSSi/c1-4-9(11)8-6-5-7-12(2,3)10-8/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 1-(2,2-dimethyloxasilinan-6-yl)propane-1-thiol?
1-(2,2-dimethyloxasilinan-6-yl)propane-1-thiol has a molecular weight of 204.41 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyloxasilinan-6-yl)propane-1-thiol is sourced from PubChem (CID 88829184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).