3,7-dimethyloctylsulfanylmethyl(diphenyl)silane

C23H34SSi — CID 171394320

IUPAC3,7-dimethyloctylsulfanylmethyl(diphenyl)silane
SMILESCC(C)CCCC(C)CCSC[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C23H34SSi/c1-20(2)11-10-12-21(3)17-18-24-19-25(22-13-6-4-7-14-22)23-15-8-5-9-16-23/h4-9,13-16,20-21,25H,10-12,17-19H2,1-3H3
InChIKeyMDLZMJMEGPIASM-UHFFFAOYSA-N
MW370.68 g/mol
LogP5.15
Rot. Bonds11

About 3,7-dimethyloctylsulfanylmethyl(diphenyl)silane

3,7-dimethyloctylsulfanylmethyl(diphenyl)silane (PubChem CID 171394320) has the molecular formula C23H34SSi and a molecular weight of 370.68 g/mol. Its IUPAC name is 3,7-dimethyloctylsulfanylmethyl(diphenyl)silane.

Molecular Properties

Compound Name3,7-dimethyloctylsulfanylmethyl(diphenyl)silane
PubChem CID171394320
Molecular FormulaC23H34SSi
Molecular Weight370.68 g/mol
Exact Mass370.22
IUPAC Name3,7-dimethyloctylsulfanylmethyl(diphenyl)silane
SMILESCC(C)CCCC(C)CCSC[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C23H34SSi/c1-20(2)11-10-12-21(3)17-18-24-19-25(22-13-6-4-7-14-22)23-15-8-5-9-16-23/h4-9,13-16,20-21,25H,10-12,17-19H2,1-3H3
InChIKeyMDLZMJMEGPIASM-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.68
LogP ≤ 55.15
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 3,7-dimethyloctylsulfanylmethyl(diphenyl)silane?
The IUPAC name of 3,7-dimethyloctylsulfanylmethyl(diphenyl)silane (CID 171394320) is 3,7-dimethyloctylsulfanylmethyl(diphenyl)silane.
What is the SMILES notation for 3,7-dimethyloctylsulfanylmethyl(diphenyl)silane?
The canonical SMILES for 3,7-dimethyloctylsulfanylmethyl(diphenyl)silane is CC(C)CCCC(C)CCSC[SiH](c1ccccc1)c1ccccc1.
What is the InChIKey of 3,7-dimethyloctylsulfanylmethyl(diphenyl)silane?
The InChIKey is MDLZMJMEGPIASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34SSi/c1-20(2)11-10-12-21(3)17-18-24-19-25(22-13-6-4-7-14-22)23-15-8-5-9-16-23/h4-9,13-16,20-21,25H,10-12,17-19H2,1-3H3.
What are the key properties of 3,7-dimethyloctylsulfanylmethyl(diphenyl)silane?
3,7-dimethyloctylsulfanylmethyl(diphenyl)silane has a molecular weight of 370.68 g/mol, XLogP of 5.15, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyloctylsulfanylmethyl(diphenyl)silane is sourced from PubChem (CID 171394320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).