trimethyl-[2-[phenyl(phenylsulfanyl)methyl]hexoxy]silane

C22H32OSSi — CID 14961450

IUPACtrimethyl-[2-[phenyl(phenylsulfanyl)methyl]hexoxy]silane
SMILESCCCCC(CO[Si](C)(C)C)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C22H32OSSi/c1-5-6-13-20(18-23-25(2,3)4)22(19-14-9-7-10-15-19)24-21-16-11-8-12-17-21/h7-12,14-17,20,22H,5-6,13,18H2,1-4H3
InChIKeyCROOLAJBJPDCPK-UHFFFAOYSA-N
MW372.65 g/mol
LogP7.18
Rot. Bonds10

About trimethyl-[2-[phenyl(phenylsulfanyl)methyl]hexoxy]silane

trimethyl-[2-[phenyl(phenylsulfanyl)methyl]hexoxy]silane (PubChem CID 14961450) has the molecular formula C22H32OSSi and a molecular weight of 372.65 g/mol. Its IUPAC name is trimethyl-[2-[phenyl(phenylsulfanyl)methyl]hexoxy]silane.

Molecular Properties

Compound Nametrimethyl-[2-[phenyl(phenylsulfanyl)methyl]hexoxy]silane
PubChem CID14961450
Molecular FormulaC22H32OSSi
Molecular Weight372.65 g/mol
Exact Mass372.19
IUPAC Nametrimethyl-[2-[phenyl(phenylsulfanyl)methyl]hexoxy]silane
SMILESCCCCC(CO[Si](C)(C)C)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C22H32OSSi/c1-5-6-13-20(18-23-25(2,3)4)22(19-14-9-7-10-15-19)24-21-16-11-8-12-17-21/h7-12,14-17,20,22H,5-6,13,18H2,1-4H3
InChIKeyCROOLAJBJPDCPK-UHFFFAOYSA-N
XLogP7.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.65
LogP ≤ 57.18
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-[2-[phenyl(phenylsulfanyl)methyl]hexoxy]silane?
The IUPAC name of trimethyl-[2-[phenyl(phenylsulfanyl)methyl]hexoxy]silane (CID 14961450) is trimethyl-[2-[phenyl(phenylsulfanyl)methyl]hexoxy]silane.
What is the SMILES notation for trimethyl-[2-[phenyl(phenylsulfanyl)methyl]hexoxy]silane?
The canonical SMILES for trimethyl-[2-[phenyl(phenylsulfanyl)methyl]hexoxy]silane is CCCCC(CO[Si](C)(C)C)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of trimethyl-[2-[phenyl(phenylsulfanyl)methyl]hexoxy]silane?
The InChIKey is CROOLAJBJPDCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32OSSi/c1-5-6-13-20(18-23-25(2,3)4)22(19-14-9-7-10-15-19)24-21-16-11-8-12-17-21/h7-12,14-17,20,22H,5-6,13,18H2,1-4H3.
What are the key properties of trimethyl-[2-[phenyl(phenylsulfanyl)methyl]hexoxy]silane?
trimethyl-[2-[phenyl(phenylsulfanyl)methyl]hexoxy]silane has a molecular weight of 372.65 g/mol, XLogP of 7.18, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[phenyl(phenylsulfanyl)methyl]hexoxy]silane is sourced from PubChem (CID 14961450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).