tert-butyl-[4-(2-cyclopentylsulfinylphenyl)butoxy]-diphenylsilane

C31H40O2SSi — CID 90781945

IUPACtert-butyl-[4-(2-cyclopentylsulfinylphenyl)butoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCc1ccccc1S(=O)C1CCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H40O2SSi/c1-31(2,3)35(28-20-6-4-7-21-28,29-22-8-5-9-23-29)33-25-15-14-17-26-16-10-13-24-30(26)34(32)27-18-11-12-19-27/h4-10,13,16,20-24,27H,11-12,14-15,17-19,25H2,1-3H3
InChIKeyUZLULBKYFZOHPK-UHFFFAOYSA-N
MW504.81 g/mol
LogP6.64
Rot. Bonds10

About tert-butyl-[4-(2-cyclopentylsulfinylphenyl)butoxy]-diphenylsilane

tert-butyl-[4-(2-cyclopentylsulfinylphenyl)butoxy]-diphenylsilane (PubChem CID 90781945) has the molecular formula C31H40O2SSi and a molecular weight of 504.81 g/mol. Its IUPAC name is tert-butyl-[4-(2-cyclopentylsulfinylphenyl)butoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(2-cyclopentylsulfinylphenyl)butoxy]-diphenylsilane
PubChem CID90781945
Molecular FormulaC31H40O2SSi
Molecular Weight504.81 g/mol
Exact Mass504.25
IUPAC Nametert-butyl-[4-(2-cyclopentylsulfinylphenyl)butoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCc1ccccc1S(=O)C1CCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H40O2SSi/c1-31(2,3)35(28-20-6-4-7-21-28,29-22-8-5-9-23-29)33-25-15-14-17-26-16-10-13-24-30(26)34(32)27-18-11-12-19-27/h4-10,13,16,20-24,27H,11-12,14-15,17-19,25H2,1-3H3
InChIKeyUZLULBKYFZOHPK-UHFFFAOYSA-N
XLogP6.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.81
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Tert-butyl-dimethyl-(4-phenyl-4-phenylsulfanylbutoxy)silane
CID 135030321
Tert-butyl-[4-(4-fluorophenyl)sulfonyl-5-phenylpentoxy]-diphenylsilane
CID 10578797
Tert-butyldiphenyl(12-(phenylsulfonyl)dodecyloxy)silane
CID 52919353
tert-Butyldiphenyl((17Z,20Z,23Z,26Z)-12-(phenylsulfonyl)dotriaconta-17,20,23,26-tetraenyloxy)silane
CID 58250163
12-(Benzenesulfonyl)dotriaconta-17,20,23,26-tetraenoxy-tert-butyl-diphenylsilane
CID 67170702
Tert-butyl(4-[3-(cyclopentylthio)phenyl]butoxy}diphenylsilane
CID 69384064
Tert-butyl{4-[3-(cyclopentylsulfinyl)phenyl]butoxy}diphenylsilane
CID 69387393
Butyl-[4-(3-cyclopentylsulfanylphenyl)butoxy]-diphenylsilane
CID 69534869
Tert-butyl-[4-(2-cyclopentylsulfanylphenyl)butoxy]-diphenylsilane
CID 91510143
Tert-butyl-dimethyl-(9-phenyl-9-phenylsulfanylnonoxy)silane
CID 170764575
7-[tert-butyl(diphenyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]heptan-2-one
CID 10413883
(2S)-7-[tert-butyl(diphenyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]heptan-2-ol
CID 10436313

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(2-cyclopentylsulfinylphenyl)butoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[4-(2-cyclopentylsulfinylphenyl)butoxy]-diphenylsilane (CID 90781945) is tert-butyl-[4-(2-cyclopentylsulfinylphenyl)butoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[4-(2-cyclopentylsulfinylphenyl)butoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[4-(2-cyclopentylsulfinylphenyl)butoxy]-diphenylsilane is CC(C)(C)[Si](OCCCCc1ccccc1S(=O)C1CCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[4-(2-cyclopentylsulfinylphenyl)butoxy]-diphenylsilane?
The InChIKey is UZLULBKYFZOHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40O2SSi/c1-31(2,3)35(28-20-6-4-7-21-28,29-22-8-5-9-23-29)33-25-15-14-17-26-16-10-13-24-30(26)34(32)27-18-11-12-19-27/h4-10,13,16,20-24,27H,11-12,14-15,17-19,25H2,1-3H3.
What are the key properties of tert-butyl-[4-(2-cyclopentylsulfinylphenyl)butoxy]-diphenylsilane?
tert-butyl-[4-(2-cyclopentylsulfinylphenyl)butoxy]-diphenylsilane has a molecular weight of 504.81 g/mol, XLogP of 6.64, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(2-cyclopentylsulfinylphenyl)butoxy]-diphenylsilane is sourced from PubChem (CID 90781945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).