tert-butyl-[4-(4-fluorophenyl)sulfonyl-5-phenylpentoxy]-diphenylsilane

C33H37FO3SSi — CID 10578797

IUPACtert-butyl-[4-(4-fluorophenyl)sulfonyl-5-phenylpentoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCCC(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H37FO3SSi/c1-33(2,3)39(31-17-9-5-10-18-31,32-19-11-6-12-20-32)37-25-13-16-30(26-27-14-7-4-8-15-27)38(35,36)29-23-21-28(34)22-24-29/h4-12,14-15,17-24,30H,13,16,25-26H2,1-3H3
InChIKeyDHPAUBXBKVSDGN-UHFFFAOYSA-N
MW560.81 g/mol
LogP6.57
Rot. Bonds11

About tert-butyl-[4-(4-fluorophenyl)sulfonyl-5-phenylpentoxy]-diphenylsilane

tert-butyl-[4-(4-fluorophenyl)sulfonyl-5-phenylpentoxy]-diphenylsilane (PubChem CID 10578797) has the molecular formula C33H37FO3SSi and a molecular weight of 560.81 g/mol. Its IUPAC name is tert-butyl-[4-(4-fluorophenyl)sulfonyl-5-phenylpentoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(4-fluorophenyl)sulfonyl-5-phenylpentoxy]-diphenylsilane
PubChem CID10578797
Molecular FormulaC33H37FO3SSi
Molecular Weight560.81 g/mol
Exact Mass560.22
IUPAC Nametert-butyl-[4-(4-fluorophenyl)sulfonyl-5-phenylpentoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCCC(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H37FO3SSi/c1-33(2,3)39(31-17-9-5-10-18-31,32-19-11-6-12-20-32)37-25-13-16-30(26-27-14-7-4-8-15-27)38(35,36)29-23-21-28(34)22-24-29/h4-12,14-15,17-24,30H,13,16,25-26H2,1-3H3
InChIKeyDHPAUBXBKVSDGN-UHFFFAOYSA-N
XLogP6.57
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.81
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(4R)-5-(benzenesulfonyl)-4-methylpentoxy]-tert-butyl-diphenylsilane
CID 25117682
(3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol
CID 11546522
[6-[tert-butyl(diphenyl)silyl]oxy-2-methylhexan-3-yl] 4-methylbenzenesulfonate
CID 59759753
5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal
CID 72966538
3-[tert-butyl(diphenyl)silyl]oxypropyl 4-methylbenzenesulfonate
CID 14616924
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
tert-butyl-[(2S,5S)-2,5-dimethyl-6-phenylhexoxy]-diphenylsilane
CID 134925581
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-1-nitrooxypentan-2-yl] nitrate
CID 58812389
(4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-1-en-4-ol
CID 11003481
tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane
CID 160977016
prop-2-enyl 2-acetyl-5-[tert-butyl(diphenyl)silyl]oxypentanoate
CID 58842048

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(4-fluorophenyl)sulfonyl-5-phenylpentoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[4-(4-fluorophenyl)sulfonyl-5-phenylpentoxy]-diphenylsilane (CID 10578797) is tert-butyl-[4-(4-fluorophenyl)sulfonyl-5-phenylpentoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[4-(4-fluorophenyl)sulfonyl-5-phenylpentoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[4-(4-fluorophenyl)sulfonyl-5-phenylpentoxy]-diphenylsilane is CC(C)(C)[Si](OCCCC(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[4-(4-fluorophenyl)sulfonyl-5-phenylpentoxy]-diphenylsilane?
The InChIKey is DHPAUBXBKVSDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37FO3SSi/c1-33(2,3)39(31-17-9-5-10-18-31,32-19-11-6-12-20-32)37-25-13-16-30(26-27-14-7-4-8-15-27)38(35,36)29-23-21-28(34)22-24-29/h4-12,14-15,17-24,30H,13,16,25-26H2,1-3H3.
What are the key properties of tert-butyl-[4-(4-fluorophenyl)sulfonyl-5-phenylpentoxy]-diphenylsilane?
tert-butyl-[4-(4-fluorophenyl)sulfonyl-5-phenylpentoxy]-diphenylsilane has a molecular weight of 560.81 g/mol, XLogP of 6.57, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(4-fluorophenyl)sulfonyl-5-phenylpentoxy]-diphenylsilane is sourced from PubChem (CID 10578797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).