methyl-(pentylsulfanylmethyl)-phenylsilane

C13H22SSi — CID 171394315

IUPACmethyl-(pentylsulfanylmethyl)-phenylsilane
SMILESCCCCCSC[SiH](C)c1ccccc1
InChIInChI=1S/C13H22SSi/c1-3-4-8-11-14-12-15(2)13-9-6-5-7-10-13/h5-7,9-10,15H,3-4,8,11-12H2,1-2H3
InChIKeyUCAAUNZRKKWTFO-UHFFFAOYSA-N
MW238.47 g/mol
LogP3.21
Rot. Bonds7

About methyl-(pentylsulfanylmethyl)-phenylsilane

methyl-(pentylsulfanylmethyl)-phenylsilane (PubChem CID 171394315) has the molecular formula C13H22SSi and a molecular weight of 238.47 g/mol. Its IUPAC name is methyl-(pentylsulfanylmethyl)-phenylsilane.

Molecular Properties

Compound Namemethyl-(pentylsulfanylmethyl)-phenylsilane
PubChem CID171394315
Molecular FormulaC13H22SSi
Molecular Weight238.47 g/mol
Exact Mass238.12
IUPAC Namemethyl-(pentylsulfanylmethyl)-phenylsilane
SMILESCCCCCSC[SiH](C)c1ccccc1
InChIInChI=1S/C13H22SSi/c1-3-4-8-11-14-12-15(2)13-9-6-5-7-10-13/h5-7,9-10,15H,3-4,8,11-12H2,1-2H3
InChIKeyUCAAUNZRKKWTFO-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.47
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 methyl-(pentylsulfanylmethyl)-phenylsilane?
The IUPAC name of methyl-(pentylsulfanylmethyl)-phenylsilane (CID 171394315) is methyl-(pentylsulfanylmethyl)-phenylsilane.
What is the SMILES notation for methyl-(pentylsulfanylmethyl)-phenylsilane?
The canonical SMILES for methyl-(pentylsulfanylmethyl)-phenylsilane is CCCCCSC[SiH](C)c1ccccc1.
What is the InChIKey of methyl-(pentylsulfanylmethyl)-phenylsilane?
The InChIKey is UCAAUNZRKKWTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22SSi/c1-3-4-8-11-14-12-15(2)13-9-6-5-7-10-13/h5-7,9-10,15H,3-4,8,11-12H2,1-2H3.
What are the key properties of methyl-(pentylsulfanylmethyl)-phenylsilane?
methyl-(pentylsulfanylmethyl)-phenylsilane has a molecular weight of 238.47 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(pentylsulfanylmethyl)-phenylsilane is sourced from PubChem (CID 171394315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).