tert-butyl-dimethyl-(9-phenyl-9-phenylsulfanylnonoxy)silane

C27H42OSSi — CID 170764575

IUPACtert-butyl-dimethyl-(9-phenyl-9-phenylsulfanylnonoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCCC(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C27H42OSSi/c1-27(2,3)30(4,5)28-23-17-9-7-6-8-16-22-26(24-18-12-10-13-19-24)29-25-20-14-11-15-21-25/h10-15,18-21,26H,6-9,16-17,22-23H2,1-5H3
InChIKeyAYLSNWGHMBVRQC-UHFFFAOYSA-N
MW442.79 g/mol
LogP9.27
Rot. Bonds13

About tert-butyl-dimethyl-(9-phenyl-9-phenylsulfanylnonoxy)silane

tert-butyl-dimethyl-(9-phenyl-9-phenylsulfanylnonoxy)silane (PubChem CID 170764575) has the molecular formula C27H42OSSi and a molecular weight of 442.79 g/mol. Its IUPAC name is tert-butyl-dimethyl-(9-phenyl-9-phenylsulfanylnonoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(9-phenyl-9-phenylsulfanylnonoxy)silane
PubChem CID170764575
Molecular FormulaC27H42OSSi
Molecular Weight442.79 g/mol
Exact Mass442.27
IUPAC Nametert-butyl-dimethyl-(9-phenyl-9-phenylsulfanylnonoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCCC(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C27H42OSSi/c1-27(2,3)30(4,5)28-23-17-9-7-6-8-16-22-26(24-18-12-10-13-19-24)29-25-20-14-11-15-21-25/h10-15,18-21,26H,6-9,16-17,22-23H2,1-5H3
InChIKeyAYLSNWGHMBVRQC-UHFFFAOYSA-N
XLogP9.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.79
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(9-phenyl-9-phenylsulfanylnonoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(9-phenyl-9-phenylsulfanylnonoxy)silane (CID 170764575) is tert-butyl-dimethyl-(9-phenyl-9-phenylsulfanylnonoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(9-phenyl-9-phenylsulfanylnonoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(9-phenyl-9-phenylsulfanylnonoxy)silane is CC(C)(C)[Si](C)(C)OCCCCCCCCC(Sc1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-(9-phenyl-9-phenylsulfanylnonoxy)silane?
The InChIKey is AYLSNWGHMBVRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42OSSi/c1-27(2,3)30(4,5)28-23-17-9-7-6-8-16-22-26(24-18-12-10-13-19-24)29-25-20-14-11-15-21-25/h10-15,18-21,26H,6-9,16-17,22-23H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(9-phenyl-9-phenylsulfanylnonoxy)silane?
tert-butyl-dimethyl-(9-phenyl-9-phenylsulfanylnonoxy)silane has a molecular weight of 442.79 g/mol, XLogP of 9.27, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(9-phenyl-9-phenylsulfanylnonoxy)silane is sourced from PubChem (CID 170764575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).