5-[bis(phenylsulfanyl)methoxy]pentoxy-tert-butyl-dimethylsilane

C24H36O2S2Si — CID 135006205

IUPAC5-[bis(phenylsulfanyl)methoxy]pentoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCCOC(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C24H36O2S2Si/c1-24(2,3)29(4,5)26-20-14-8-13-19-25-23(27-21-15-9-6-10-16-21)28-22-17-11-7-12-18-22/h6-7,9-12,15-18,23H,8,13-14,19-20H2,1-5H3
InChIKeyHBVUTHCELQWRBL-UHFFFAOYSA-N
MW448.77 g/mol
LogP8.06
Rot. Bonds12

About 5-[bis(phenylsulfanyl)methoxy]pentoxy-tert-butyl-dimethylsilane

5-[bis(phenylsulfanyl)methoxy]pentoxy-tert-butyl-dimethylsilane (PubChem CID 135006205) has the molecular formula C24H36O2S2Si and a molecular weight of 448.77 g/mol. Its IUPAC name is 5-[bis(phenylsulfanyl)methoxy]pentoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name5-[bis(phenylsulfanyl)methoxy]pentoxy-tert-butyl-dimethylsilane
PubChem CID135006205
Molecular FormulaC24H36O2S2Si
Molecular Weight448.77 g/mol
Exact Mass448.19
IUPAC Name5-[bis(phenylsulfanyl)methoxy]pentoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCCOC(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C24H36O2S2Si/c1-24(2,3)29(4,5)26-20-14-8-13-19-25-23(27-21-15-9-6-10-16-21)28-22-17-11-7-12-18-22/h6-7,9-12,15-18,23H,8,13-14,19-20H2,1-5H3
InChIKeyHBVUTHCELQWRBL-UHFFFAOYSA-N
XLogP8.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.77
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[bis(phenylsulfanyl)methoxy]pentoxy-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[Bis(phenylsulfanyl)methoxy]ethyl-trimethylsilane
CID 11739547
4,4-Bis(phenylsulfanyl)butoxy-tert-butyl-dimethylsilane
CID 25016402
1,1-Bis(phenylsulfanyl)undecan-3-yloxy-dimethyl-propylsilane
CID 134877975
[2-[Bis(phenylsulfanyl)methyl]oxiran-2-yl]-trimethylsilane
CID 134929901
tert-butyl-dimethyl-[(5Z)-5-phenylsulfanylnona-5,8-dienoxy]silane
CID 102157404
[2,2-Bis(methylsulfanyl)cyclobutyl]methoxy-tert-butyl-diphenylsilane
CID 14862241
Tert-butyl-[1-[4-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane
CID 22401858
Tert-butyl-[2-[4-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane
CID 54371727
Dibutoxy-methyl-(4-methylsulfanylphenyl)silane
CID 59711312
5-[Tert-butyl(dimethyl)silyl]oxy-3,3-bis(phenylsulfanyl)pentan-2-one
CID 59850525
Methoxy-methyl-phenyl-(2-phenylsulfanylethoxy)silane
CID 150258448
5,5-Bis(phenylsulfanyl)pentoxy-tert-butyl-dimethylsilane
CID 173798642

Frequently Asked Questions

What is the IUPAC name of 5-[bis(phenylsulfanyl)methoxy]pentoxy-tert-butyl-dimethylsilane?
The IUPAC name of 5-[bis(phenylsulfanyl)methoxy]pentoxy-tert-butyl-dimethylsilane (CID 135006205) is 5-[bis(phenylsulfanyl)methoxy]pentoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 5-[bis(phenylsulfanyl)methoxy]pentoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 5-[bis(phenylsulfanyl)methoxy]pentoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCCCOC(Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of 5-[bis(phenylsulfanyl)methoxy]pentoxy-tert-butyl-dimethylsilane?
The InChIKey is HBVUTHCELQWRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O2S2Si/c1-24(2,3)29(4,5)26-20-14-8-13-19-25-23(27-21-15-9-6-10-16-21)28-22-17-11-7-12-18-22/h6-7,9-12,15-18,23H,8,13-14,19-20H2,1-5H3.
What are the key properties of 5-[bis(phenylsulfanyl)methoxy]pentoxy-tert-butyl-dimethylsilane?
5-[bis(phenylsulfanyl)methoxy]pentoxy-tert-butyl-dimethylsilane has a molecular weight of 448.77 g/mol, XLogP of 8.06, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(phenylsulfanyl)methoxy]pentoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 135006205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).