[pentylsulfanyl(phenylsilyl)methyl]-phenylsilane

C18H26SSi2 — CID 171394316

IUPAC[pentylsulfanyl(phenylsilyl)methyl]-phenylsilane
SMILESCCCCCSC([SiH2]c1ccccc1)[SiH2]c1ccccc1
InChIInChI=1S/C18H26SSi2/c1-2-3-10-15-19-18(20-16-11-6-4-7-12-16)21-17-13-8-5-9-14-17/h4-9,11-14,18H,2-3,10,15,20-21H2,1H3
InChIKeyNPXZBHYKGCNMQR-UHFFFAOYSA-N
MW330.64 g/mol
LogP2.18
Rot. Bonds9

About [pentylsulfanyl(phenylsilyl)methyl]-phenylsilane

[pentylsulfanyl(phenylsilyl)methyl]-phenylsilane (PubChem CID 171394316) has the molecular formula C18H26SSi2 and a molecular weight of 330.64 g/mol. Its IUPAC name is [pentylsulfanyl(phenylsilyl)methyl]-phenylsilane.

Molecular Properties

Compound Name[pentylsulfanyl(phenylsilyl)methyl]-phenylsilane
PubChem CID171394316
Molecular FormulaC18H26SSi2
Molecular Weight330.64 g/mol
Exact Mass330.13
IUPAC Name[pentylsulfanyl(phenylsilyl)methyl]-phenylsilane
SMILESCCCCCSC([SiH2]c1ccccc1)[SiH2]c1ccccc1
InChIInChI=1S/C18H26SSi2/c1-2-3-10-15-19-18(20-16-11-6-4-7-12-16)21-17-13-8-5-9-14-17/h4-9,11-14,18H,2-3,10,15,20-21H2,1H3
InChIKeyNPXZBHYKGCNMQR-UHFFFAOYSA-N
XLogP2.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.64
LogP ≤ 52.18
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 [pentylsulfanyl(phenylsilyl)methyl]-phenylsilane?
The IUPAC name of [pentylsulfanyl(phenylsilyl)methyl]-phenylsilane (CID 171394316) is [pentylsulfanyl(phenylsilyl)methyl]-phenylsilane.
What is the SMILES notation for [pentylsulfanyl(phenylsilyl)methyl]-phenylsilane?
The canonical SMILES for [pentylsulfanyl(phenylsilyl)methyl]-phenylsilane is CCCCCSC([SiH2]c1ccccc1)[SiH2]c1ccccc1.
What is the InChIKey of [pentylsulfanyl(phenylsilyl)methyl]-phenylsilane?
The InChIKey is NPXZBHYKGCNMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26SSi2/c1-2-3-10-15-19-18(20-16-11-6-4-7-12-16)21-17-13-8-5-9-14-17/h4-9,11-14,18H,2-3,10,15,20-21H2,1H3.
What are the key properties of [pentylsulfanyl(phenylsilyl)methyl]-phenylsilane?
[pentylsulfanyl(phenylsilyl)methyl]-phenylsilane has a molecular weight of 330.64 g/mol, XLogP of 2.18, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [pentylsulfanyl(phenylsilyl)methyl]-phenylsilane is sourced from PubChem (CID 171394316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).