trimethyl(5-phenylsulfanylnonan-5-yl)silane

C18H32SSi — CID 13164715

IUPACtrimethyl(5-phenylsulfanylnonan-5-yl)silane
SMILESCCCCC(CCCC)(Sc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C18H32SSi/c1-6-8-15-18(16-9-7-2,20(3,4)5)19-17-13-11-10-12-14-17/h10-14H,6-9,15-16H2,1-5H3
InChIKeyVOCUNHXOKCEEBJ-UHFFFAOYSA-N
MW308.61 g/mol
LogP6.78
Rot. Bonds9

About trimethyl(5-phenylsulfanylnonan-5-yl)silane

trimethyl(5-phenylsulfanylnonan-5-yl)silane (PubChem CID 13164715) has the molecular formula C18H32SSi and a molecular weight of 308.61 g/mol. Its IUPAC name is trimethyl(5-phenylsulfanylnonan-5-yl)silane.

Molecular Properties

Compound Nametrimethyl(5-phenylsulfanylnonan-5-yl)silane
PubChem CID13164715
Molecular FormulaC18H32SSi
Molecular Weight308.61 g/mol
Exact Mass308.20
IUPAC Nametrimethyl(5-phenylsulfanylnonan-5-yl)silane
SMILESCCCCC(CCCC)(Sc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C18H32SSi/c1-6-8-15-18(16-9-7-2,20(3,4)5)19-17-13-11-10-12-14-17/h10-14H,6-9,15-16H2,1-5H3
InChIKeyVOCUNHXOKCEEBJ-UHFFFAOYSA-N
XLogP6.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.61
LogP ≤ 56.78
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(5-phenylsulfanylnonan-5-yl)silane?
The IUPAC name of trimethyl(5-phenylsulfanylnonan-5-yl)silane (CID 13164715) is trimethyl(5-phenylsulfanylnonan-5-yl)silane.
What is the SMILES notation for trimethyl(5-phenylsulfanylnonan-5-yl)silane?
The canonical SMILES for trimethyl(5-phenylsulfanylnonan-5-yl)silane is CCCCC(CCCC)(Sc1ccccc1)[Si](C)(C)C.
What is the InChIKey of trimethyl(5-phenylsulfanylnonan-5-yl)silane?
The InChIKey is VOCUNHXOKCEEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32SSi/c1-6-8-15-18(16-9-7-2,20(3,4)5)19-17-13-11-10-12-14-17/h10-14H,6-9,15-16H2,1-5H3.
What are the key properties of trimethyl(5-phenylsulfanylnonan-5-yl)silane?
trimethyl(5-phenylsulfanylnonan-5-yl)silane has a molecular weight of 308.61 g/mol, XLogP of 6.78, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(5-phenylsulfanylnonan-5-yl)silane is sourced from PubChem (CID 13164715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).