dimethyl-[1-phenyl-3,3-bis(phenylsulfanyl)propoxy]-prop-2-enylsilane

C26H30OS2Si — CID 10551544

IUPACdimethyl-[1-phenyl-3,3-bis(phenylsulfanyl)propoxy]-prop-2-enylsilane
SMILESC=CC[Si](C)(C)OC(CC(Sc1ccccc1)Sc1ccccc1)c1ccccc1
InChIInChI=1S/C26H30OS2Si/c1-4-20-30(2,3)27-25(22-14-8-5-9-15-22)21-26(28-23-16-10-6-11-17-23)29-24-18-12-7-13-19-24/h4-19,25-26H,1,20-21H2,2-3H3
InChIKeyHWACWSLFHYHCFL-UHFFFAOYSA-N
MW450.75 g/mol
LogP8.44
Rot. Bonds11

About dimethyl-[1-phenyl-3,3-bis(phenylsulfanyl)propoxy]-prop-2-enylsilane

dimethyl-[1-phenyl-3,3-bis(phenylsulfanyl)propoxy]-prop-2-enylsilane (PubChem CID 10551544) has the molecular formula C26H30OS2Si and a molecular weight of 450.75 g/mol. Its IUPAC name is dimethyl-[1-phenyl-3,3-bis(phenylsulfanyl)propoxy]-prop-2-enylsilane.

Molecular Properties

Compound Namedimethyl-[1-phenyl-3,3-bis(phenylsulfanyl)propoxy]-prop-2-enylsilane
PubChem CID10551544
Molecular FormulaC26H30OS2Si
Molecular Weight450.75 g/mol
Exact Mass450.15
IUPAC Namedimethyl-[1-phenyl-3,3-bis(phenylsulfanyl)propoxy]-prop-2-enylsilane
SMILESC=CC[Si](C)(C)OC(CC(Sc1ccccc1)Sc1ccccc1)c1ccccc1
InChIInChI=1S/C26H30OS2Si/c1-4-20-30(2,3)27-25(22-14-8-5-9-15-22)21-26(28-23-16-10-6-11-17-23)29-24-18-12-7-13-19-24/h4-19,25-26H,1,20-21H2,2-3H3
InChIKeyHWACWSLFHYHCFL-UHFFFAOYSA-N
XLogP8.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.75
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2,2-Difluoro-2-(4-methylphenyl)sulfanyl-1-phenylethoxy]-trimethylsilane
CID 132604593
(3R)-1,1-bis[(4-methylphenyl)sulfanyl]-3-phenyl-3-trimethylsilyloxypropan-2-one
CID 14813334
(1S,2S)-2-(4-methylphenyl)sulfanyl-1,2-diphenylethanol
CID 102036491
(1S,2S)-1,2-diphenyl-2-phenylsulfanylethanol
CID 10935675
(2,2-Difluoro-1-phenyl-2-phenylsulfanylethoxy)-trimethylsilane
CID 102468059
1-Methyl-4-(2-phenyl-2-phenylmethoxyethyl)sulfanylbenzene
CID 10616738
2,2-Bis(phenylsulfanyl)ethyl-dimethyl-(1-phenylhex-5-en-3-yloxy)silane
CID 10719457
[1,3-Dithian-2-yl(phenyl)methoxy]-trimethylsilane
CID 11022916
1-Phenyl-3,3-bis(phenylsulfanyl)propan-1-ol
CID 11291133
Tert-butyl-dimethyl-(2-methylsulfanyl-1-phenylethoxy)silane
CID 12061430
(1R,2R)-1,2-diphenyl-2-phenylsulfanylethanol
CID 12086556
1,2-Diphenyl-2-phenylsulfanylethanol
CID 12406260

Frequently Asked Questions

What is the IUPAC name of dimethyl-[1-phenyl-3,3-bis(phenylsulfanyl)propoxy]-prop-2-enylsilane?
The IUPAC name of dimethyl-[1-phenyl-3,3-bis(phenylsulfanyl)propoxy]-prop-2-enylsilane (CID 10551544) is dimethyl-[1-phenyl-3,3-bis(phenylsulfanyl)propoxy]-prop-2-enylsilane.
What is the SMILES notation for dimethyl-[1-phenyl-3,3-bis(phenylsulfanyl)propoxy]-prop-2-enylsilane?
The canonical SMILES for dimethyl-[1-phenyl-3,3-bis(phenylsulfanyl)propoxy]-prop-2-enylsilane is C=CC[Si](C)(C)OC(CC(Sc1ccccc1)Sc1ccccc1)c1ccccc1.
What is the InChIKey of dimethyl-[1-phenyl-3,3-bis(phenylsulfanyl)propoxy]-prop-2-enylsilane?
The InChIKey is HWACWSLFHYHCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30OS2Si/c1-4-20-30(2,3)27-25(22-14-8-5-9-15-22)21-26(28-23-16-10-6-11-17-23)29-24-18-12-7-13-19-24/h4-19,25-26H,1,20-21H2,2-3H3.
What are the key properties of dimethyl-[1-phenyl-3,3-bis(phenylsulfanyl)propoxy]-prop-2-enylsilane?
dimethyl-[1-phenyl-3,3-bis(phenylsulfanyl)propoxy]-prop-2-enylsilane has a molecular weight of 450.75 g/mol, XLogP of 8.44, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[1-phenyl-3,3-bis(phenylsulfanyl)propoxy]-prop-2-enylsilane is sourced from PubChem (CID 10551544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).