[2,2-dimethyl-1-[(2R)-thiiran-2-yl]propoxy]-diphenylsilane

C19H24OSSi — CID 154162263

IUPAC[2,2-dimethyl-1-[(2R)-thiiran-2-yl]propoxy]-diphenylsilane
SMILESCC(C)(C)C(O[SiH](c1ccccc1)c1ccccc1)[C@@H]1CS1
InChIInChI=1S/C19H24OSSi/c1-19(2,3)18(17-14-21-17)20-22(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17-18,22H,14H2,1-3H3/t17-,18?/m0/s1
InChIKeyTYGBMZVHCGYPAV-ZENAZSQFSA-N
MW328.55 g/mol
LogP3.07
Rot. Bonds5

About [2,2-dimethyl-1-[(2R)-thiiran-2-yl]propoxy]-diphenylsilane

[2,2-dimethyl-1-[(2R)-thiiran-2-yl]propoxy]-diphenylsilane (PubChem CID 154162263) has the molecular formula C19H24OSSi and a molecular weight of 328.55 g/mol. Its IUPAC name is [2,2-dimethyl-1-[(2R)-thiiran-2-yl]propoxy]-diphenylsilane.

Molecular Properties

Compound Name[2,2-dimethyl-1-[(2R)-thiiran-2-yl]propoxy]-diphenylsilane
PubChem CID154162263
Molecular FormulaC19H24OSSi
Molecular Weight328.55 g/mol
Exact Mass328.13
IUPAC Name[2,2-dimethyl-1-[(2R)-thiiran-2-yl]propoxy]-diphenylsilane
SMILESCC(C)(C)C(O[SiH](c1ccccc1)c1ccccc1)[C@@H]1CS1
InChIInChI=1S/C19H24OSSi/c1-19(2,3)18(17-14-21-17)20-22(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17-18,22H,14H2,1-3H3/t17-,18?/m0/s1
InChIKeyTYGBMZVHCGYPAV-ZENAZSQFSA-N
XLogP3.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.55
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-1-[(2R)-thiiran-2-yl]propoxy]-diphenylsilane?
The IUPAC name of [2,2-dimethyl-1-[(2R)-thiiran-2-yl]propoxy]-diphenylsilane (CID 154162263) is [2,2-dimethyl-1-[(2R)-thiiran-2-yl]propoxy]-diphenylsilane.
What is the SMILES notation for [2,2-dimethyl-1-[(2R)-thiiran-2-yl]propoxy]-diphenylsilane?
The canonical SMILES for [2,2-dimethyl-1-[(2R)-thiiran-2-yl]propoxy]-diphenylsilane is CC(C)(C)C(O[SiH](c1ccccc1)c1ccccc1)[C@@H]1CS1.
What is the InChIKey of [2,2-dimethyl-1-[(2R)-thiiran-2-yl]propoxy]-diphenylsilane?
The InChIKey is TYGBMZVHCGYPAV-ZENAZSQFSA-N. The full InChI is InChI=1S/C19H24OSSi/c1-19(2,3)18(17-14-21-17)20-22(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17-18,22H,14H2,1-3H3/t17-,18?/m0/s1.
What are the key properties of [2,2-dimethyl-1-[(2R)-thiiran-2-yl]propoxy]-diphenylsilane?
[2,2-dimethyl-1-[(2R)-thiiran-2-yl]propoxy]-diphenylsilane has a molecular weight of 328.55 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-1-[(2R)-thiiran-2-yl]propoxy]-diphenylsilane is sourced from PubChem (CID 154162263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).