trimethyl-[2-[(S)-(4-methylphenyl)sulfinyl]-2-phenylselanylethyl]silane

C18H24OSSeSi — CID 10992918

IUPACtrimethyl-[2-[(S)-(4-methylphenyl)sulfinyl]-2-phenylselanylethyl]silane
SMILESCc1ccc([S@](=O)C(C[Si](C)(C)C)[Se]c2ccccc2)cc1
InChIInChI=1S/C18H24OSSeSi/c1-15-10-12-16(13-11-15)20(19)18(14-22(2,3)4)21-17-8-6-5-7-9-17/h5-13,18H,14H2,1-4H3/t18?,20-/m0/s1
InChIKeyMHPSLJZJOVPAKU-IJHRGXPZSA-N
MW395.50 g/mol
LogP3.80
Rot. Bonds6

About trimethyl-[2-[(S)-(4-methylphenyl)sulfinyl]-2-phenylselanylethyl]silane

trimethyl-[2-[(S)-(4-methylphenyl)sulfinyl]-2-phenylselanylethyl]silane (PubChem CID 10992918) has the molecular formula C18H24OSSeSi and a molecular weight of 395.50 g/mol. Its IUPAC name is trimethyl-[2-[(S)-(4-methylphenyl)sulfinyl]-2-phenylselanylethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(S)-(4-methylphenyl)sulfinyl]-2-phenylselanylethyl]silane
PubChem CID10992918
Molecular FormulaC18H24OSSeSi
Molecular Weight395.50 g/mol
Exact Mass396.05
IUPAC Nametrimethyl-[2-[(S)-(4-methylphenyl)sulfinyl]-2-phenylselanylethyl]silane
SMILESCc1ccc([S@](=O)C(C[Si](C)(C)C)[Se]c2ccccc2)cc1
InChIInChI=1S/C18H24OSSeSi/c1-15-10-12-16(13-11-15)20(19)18(14-22(2,3)4)21-17-8-6-5-7-9-17/h5-13,18H,14H2,1-4H3/t18?,20-/m0/s1
InChIKeyMHPSLJZJOVPAKU-IJHRGXPZSA-N
XLogP3.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[2-[(S)-(4-methylphenyl)sulfinyl]-2-phenylselanylethyl]silane?
The IUPAC name of trimethyl-[2-[(S)-(4-methylphenyl)sulfinyl]-2-phenylselanylethyl]silane (CID 10992918) is trimethyl-[2-[(S)-(4-methylphenyl)sulfinyl]-2-phenylselanylethyl]silane.
What is the SMILES notation for trimethyl-[2-[(S)-(4-methylphenyl)sulfinyl]-2-phenylselanylethyl]silane?
The canonical SMILES for trimethyl-[2-[(S)-(4-methylphenyl)sulfinyl]-2-phenylselanylethyl]silane is Cc1ccc([S@](=O)C(C[Si](C)(C)C)[Se]c2ccccc2)cc1.
What is the InChIKey of trimethyl-[2-[(S)-(4-methylphenyl)sulfinyl]-2-phenylselanylethyl]silane?
The InChIKey is MHPSLJZJOVPAKU-IJHRGXPZSA-N. The full InChI is InChI=1S/C18H24OSSeSi/c1-15-10-12-16(13-11-15)20(19)18(14-22(2,3)4)21-17-8-6-5-7-9-17/h5-13,18H,14H2,1-4H3/t18?,20-/m0/s1.
What are the key properties of trimethyl-[2-[(S)-(4-methylphenyl)sulfinyl]-2-phenylselanylethyl]silane?
trimethyl-[2-[(S)-(4-methylphenyl)sulfinyl]-2-phenylselanylethyl]silane has a molecular weight of 395.50 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(S)-(4-methylphenyl)sulfinyl]-2-phenylselanylethyl]silane is sourced from PubChem (CID 10992918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).