2-ethylhexylsulfanylmethyl(diphenyl)silane

C21H30SSi — CID 171394314

IUPAC2-ethylhexylsulfanylmethyl(diphenyl)silane
SMILESCCCCC(CC)CSC[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C21H30SSi/c1-3-5-12-19(4-2)17-22-18-23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19,23H,3-5,12,17-18H2,1-2H3
InChIKeyQMKMTOLHRVTCNC-UHFFFAOYSA-N
MW342.62 g/mol
LogP4.52
Rot. Bonds10

About 2-ethylhexylsulfanylmethyl(diphenyl)silane

2-ethylhexylsulfanylmethyl(diphenyl)silane (PubChem CID 171394314) has the molecular formula C21H30SSi and a molecular weight of 342.62 g/mol. Its IUPAC name is 2-ethylhexylsulfanylmethyl(diphenyl)silane.

Molecular Properties

Compound Name2-ethylhexylsulfanylmethyl(diphenyl)silane
PubChem CID171394314
Molecular FormulaC21H30SSi
Molecular Weight342.62 g/mol
Exact Mass342.18
IUPAC Name2-ethylhexylsulfanylmethyl(diphenyl)silane
SMILESCCCCC(CC)CSC[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C21H30SSi/c1-3-5-12-19(4-2)17-22-18-23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19,23H,3-5,12,17-18H2,1-2H3
InChIKeyQMKMTOLHRVTCNC-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1,1'-(Sulfanediyldi(ethane-1,1-diyl))dibenzene
CID 248893
trans-1,2-Bis(benzylthio)-ethylene
CID 5382499
cis-1,2-Bis(benzylthio)ethylene
CID 5462932
1-Benzylsulfanylpropylbenzene
CID 15274068
(1-Benzylsulfanyl-2-ethenyl-2,6-dimethylhept-5-enyl)-trimethylsilane
CID 11348572
Trimethyl(2-phenyl-1,3-dithian-2-yl)silane
CID 13636266
[(Z)-2-benzylsulfanylhex-1-enyl]benzene
CID 14952221
[(E)-1-ethylsulfanyl-3-phenylprop-2-enyl]benzene
CID 102425199
Pentylsulfanylmethyl(diphenyl)silane
CID 168266639
Methyl-(pentylsulfanylmethyl)-phenylsilane
CID 171394315
[Pentylsulfanyl(phenylsilyl)methyl]-phenylsilane
CID 171394316
3,7-Dimethyloctylsulfanylmethyl(diphenyl)silane
CID 171394320

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexylsulfanylmethyl(diphenyl)silane?
The IUPAC name of 2-ethylhexylsulfanylmethyl(diphenyl)silane (CID 171394314) is 2-ethylhexylsulfanylmethyl(diphenyl)silane.
What is the SMILES notation for 2-ethylhexylsulfanylmethyl(diphenyl)silane?
The canonical SMILES for 2-ethylhexylsulfanylmethyl(diphenyl)silane is CCCCC(CC)CSC[SiH](c1ccccc1)c1ccccc1.
What is the InChIKey of 2-ethylhexylsulfanylmethyl(diphenyl)silane?
The InChIKey is QMKMTOLHRVTCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30SSi/c1-3-5-12-19(4-2)17-22-18-23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19,23H,3-5,12,17-18H2,1-2H3.
What are the key properties of 2-ethylhexylsulfanylmethyl(diphenyl)silane?
2-ethylhexylsulfanylmethyl(diphenyl)silane has a molecular weight of 342.62 g/mol, XLogP of 4.52, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexylsulfanylmethyl(diphenyl)silane is sourced from PubChem (CID 171394314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).