dimethyl-(2-methylprop-2-enyl)-[5-phenyl-1,1-bis(phenylsulfanyl)pentan-3-yl]oxysilane

C29H36OS2Si — CID 10601216

IUPACdimethyl-(2-methylprop-2-enyl)-[5-phenyl-1,1-bis(phenylsulfanyl)pentan-3-yl]oxysilane
SMILESC=C(C)C[Si](C)(C)OC(CCc1ccccc1)CC(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C29H36OS2Si/c1-24(2)23-33(3,4)30-26(21-20-25-14-8-5-9-15-25)22-29(31-27-16-10-6-11-17-27)32-28-18-12-7-13-19-28/h5-19,26,29H,1,20-23H2,2-4H3
InChIKeyHIDGLDZLMAWOJM-UHFFFAOYSA-N
MW492.83 g/mol
LogP9.09
Rot. Bonds13

About dimethyl-(2-methylprop-2-enyl)-[5-phenyl-1,1-bis(phenylsulfanyl)pentan-3-yl]oxysilane

dimethyl-(2-methylprop-2-enyl)-[5-phenyl-1,1-bis(phenylsulfanyl)pentan-3-yl]oxysilane (PubChem CID 10601216) has the molecular formula C29H36OS2Si and a molecular weight of 492.83 g/mol. Its IUPAC name is dimethyl-(2-methylprop-2-enyl)-[5-phenyl-1,1-bis(phenylsulfanyl)pentan-3-yl]oxysilane.

Molecular Properties

Compound Namedimethyl-(2-methylprop-2-enyl)-[5-phenyl-1,1-bis(phenylsulfanyl)pentan-3-yl]oxysilane
PubChem CID10601216
Molecular FormulaC29H36OS2Si
Molecular Weight492.83 g/mol
Exact Mass492.20
IUPAC Namedimethyl-(2-methylprop-2-enyl)-[5-phenyl-1,1-bis(phenylsulfanyl)pentan-3-yl]oxysilane
SMILESC=C(C)C[Si](C)(C)OC(CCc1ccccc1)CC(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C29H36OS2Si/c1-24(2)23-33(3,4)30-26(21-20-25-14-8-5-9-15-25)22-29(31-27-16-10-6-11-17-27)32-28-18-12-7-13-19-28/h5-19,26,29H,1,20-23H2,2-4H3
InChIKeyHIDGLDZLMAWOJM-UHFFFAOYSA-N
XLogP9.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.83
LogP ≤ 59.09
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

[(1R,2R)-2-[2,2-bis(phenylsulfanyl)ethyl]-1-prop-1-en-2-ylcyclohexyl]oxy-trimethylsilane
CID 394587
2,2-Bis(phenylsulfanyl)ethyl-dimethyl-(1-phenylhex-5-en-3-yloxy)silane
CID 10719457
3-[3,3-Bis(phenylsulfanyl)propoxy]propylbenzene
CID 11452225
Trimethyl-[2-[phenyl(phenylsulfanyl)methyl]hexoxy]silane
CID 14961450
1-Phenyl-1,1-bis(phenylsulfanyl)nonan-2-ol
CID 15270964
(2-Benzyl-4-methoxy-1-phenylsulfanylbutyl)sulfanylbenzene
CID 86034056
[3-Benzyl-4,4-bis(phenylsulfanyl)butoxy]-triphenylsilane
CID 86034066
[3-(2-Benzylpent-4-enoxy)-1-phenylsulfanylpropyl]sulfanylbenzene
CID 101053808
tert-butyl-diphenyl-[(E,1R)-1-phenyl-5-phenylsulfanylhex-3-enoxy]silane
CID 101917497
tert-butyl-dimethyl-[2-[(1R,6S)-3-methyl-6-phenylsulfanylcyclohex-3-en-1-yl]ethoxy]silane
CID 132942045
2-[(1R,4aS,8aR)-8-methyl-1-phenylsulfanyl-2,5,6,8a-tetrahydro-1H-naphthalen-4a-yl]ethoxy-tert-butyl-diphenylsilane
CID 134837527
1,1-Bis(phenylsulfanyl)undecan-3-yloxy-dimethyl-propylsilane
CID 134877975

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-methylprop-2-enyl)-[5-phenyl-1,1-bis(phenylsulfanyl)pentan-3-yl]oxysilane?
The IUPAC name of dimethyl-(2-methylprop-2-enyl)-[5-phenyl-1,1-bis(phenylsulfanyl)pentan-3-yl]oxysilane (CID 10601216) is dimethyl-(2-methylprop-2-enyl)-[5-phenyl-1,1-bis(phenylsulfanyl)pentan-3-yl]oxysilane.
What is the SMILES notation for dimethyl-(2-methylprop-2-enyl)-[5-phenyl-1,1-bis(phenylsulfanyl)pentan-3-yl]oxysilane?
The canonical SMILES for dimethyl-(2-methylprop-2-enyl)-[5-phenyl-1,1-bis(phenylsulfanyl)pentan-3-yl]oxysilane is C=C(C)C[Si](C)(C)OC(CCc1ccccc1)CC(Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of dimethyl-(2-methylprop-2-enyl)-[5-phenyl-1,1-bis(phenylsulfanyl)pentan-3-yl]oxysilane?
The InChIKey is HIDGLDZLMAWOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36OS2Si/c1-24(2)23-33(3,4)30-26(21-20-25-14-8-5-9-15-25)22-29(31-27-16-10-6-11-17-27)32-28-18-12-7-13-19-28/h5-19,26,29H,1,20-23H2,2-4H3.
What are the key properties of dimethyl-(2-methylprop-2-enyl)-[5-phenyl-1,1-bis(phenylsulfanyl)pentan-3-yl]oxysilane?
dimethyl-(2-methylprop-2-enyl)-[5-phenyl-1,1-bis(phenylsulfanyl)pentan-3-yl]oxysilane has a molecular weight of 492.83 g/mol, XLogP of 9.09, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methylprop-2-enyl)-[5-phenyl-1,1-bis(phenylsulfanyl)pentan-3-yl]oxysilane is sourced from PubChem (CID 10601216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).