trimethyl-[(2R)-2-phenyl-3-phenylsulfanylpropoxy]silane

C18H24OSSi — CID 155930100

IUPACtrimethyl-[(2R)-2-phenyl-3-phenylsulfanylpropoxy]silane
SMILESC[Si](C)(C)OC[C@H](CSc1ccccc1)c1ccccc1
InChIInChI=1S/C18H24OSSi/c1-21(2,3)19-14-17(16-10-6-4-7-11-16)15-20-18-12-8-5-9-13-18/h4-13,17H,14-15H2,1-3H3/t17-/m1/s1
InChIKeyLMBSCNRHAJGADX-QGZVFWFLSA-N
MW316.54 g/mol
LogP5.41
Rot. Bonds7

About trimethyl-[(2R)-2-phenyl-3-phenylsulfanylpropoxy]silane

trimethyl-[(2R)-2-phenyl-3-phenylsulfanylpropoxy]silane (PubChem CID 155930100) has the molecular formula C18H24OSSi and a molecular weight of 316.54 g/mol. Its IUPAC name is trimethyl-[(2R)-2-phenyl-3-phenylsulfanylpropoxy]silane.

Molecular Properties

Compound Nametrimethyl-[(2R)-2-phenyl-3-phenylsulfanylpropoxy]silane
PubChem CID155930100
Molecular FormulaC18H24OSSi
Molecular Weight316.54 g/mol
Exact Mass316.13
IUPAC Nametrimethyl-[(2R)-2-phenyl-3-phenylsulfanylpropoxy]silane
SMILESC[Si](C)(C)OC[C@H](CSc1ccccc1)c1ccccc1
InChIInChI=1S/C18H24OSSi/c1-21(2,3)19-14-17(16-10-6-4-7-11-16)15-20-18-12-8-5-9-13-18/h4-13,17H,14-15H2,1-3H3/t17-/m1/s1
InChIKeyLMBSCNRHAJGADX-QGZVFWFLSA-N
XLogP5.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.54
LogP ≤ 55.41
H-Bond Donors ≤ 50
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 trimethyl-[(2R)-2-phenyl-3-phenylsulfanylpropoxy]silane?
The IUPAC name of trimethyl-[(2R)-2-phenyl-3-phenylsulfanylpropoxy]silane (CID 155930100) is trimethyl-[(2R)-2-phenyl-3-phenylsulfanylpropoxy]silane.
What is the SMILES notation for trimethyl-[(2R)-2-phenyl-3-phenylsulfanylpropoxy]silane?
The canonical SMILES for trimethyl-[(2R)-2-phenyl-3-phenylsulfanylpropoxy]silane is C[Si](C)(C)OC[C@H](CSc1ccccc1)c1ccccc1.
What is the InChIKey of trimethyl-[(2R)-2-phenyl-3-phenylsulfanylpropoxy]silane?
The InChIKey is LMBSCNRHAJGADX-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24OSSi/c1-21(2,3)19-14-17(16-10-6-4-7-11-16)15-20-18-12-8-5-9-13-18/h4-13,17H,14-15H2,1-3H3/t17-/m1/s1.
What are the key properties of trimethyl-[(2R)-2-phenyl-3-phenylsulfanylpropoxy]silane?
trimethyl-[(2R)-2-phenyl-3-phenylsulfanylpropoxy]silane has a molecular weight of 316.54 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2R)-2-phenyl-3-phenylsulfanylpropoxy]silane is sourced from PubChem (CID 155930100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).