2,6-ditert-butyl-4-[[dibutyl-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]silyl]methylsulfanyl]phenol

C38H64O2S2Si — CID 19088165

IUPAC2,6-ditert-butyl-4-[[dibutyl-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]silyl]methylsulfanyl]phenol
SMILESCCCC[Si](CCCC)(CSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C38H64O2S2Si/c1-15-17-19-43(20-18-16-2,25-41-27-21-29(35(3,4)5)33(39)30(22-27)36(6,7)8)26-42-28-23-31(37(9,10)11)34(40)32(24-28)38(12,13)14/h21-24,39-40H,15-20,25-26H2,1-14H3
InChIKeyRKUOLVKCORKCPU-UHFFFAOYSA-N
MW645.15 g/mol
LogP12.30
Rot. Bonds12

About 2,6-ditert-butyl-4-[[dibutyl-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]silyl]methylsulfanyl]phenol

2,6-ditert-butyl-4-[[dibutyl-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]silyl]methylsulfanyl]phenol (PubChem CID 19088165) has the molecular formula C38H64O2S2Si and a molecular weight of 645.15 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[[dibutyl-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]silyl]methylsulfanyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[[dibutyl-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]silyl]methylsulfanyl]phenol
PubChem CID19088165
Molecular FormulaC38H64O2S2Si
Molecular Weight645.15 g/mol
Exact Mass644.41
IUPAC Name2,6-ditert-butyl-4-[[dibutyl-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]silyl]methylsulfanyl]phenol
SMILESCCCC[Si](CCCC)(CSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C38H64O2S2Si/c1-15-17-19-43(20-18-16-2,25-41-27-21-29(35(3,4)5)33(39)30(22-27)36(6,7)8)26-42-28-23-31(37(9,10)11)34(40)32(24-28)38(12,13)14/h21-24,39-40H,15-20,25-26H2,1-14H3
InChIKeyRKUOLVKCORKCPU-UHFFFAOYSA-N
XLogP12.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.15
LogP ≤ 512.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-ditert-butyl-4-[[dibutyl-(2-ethoxyphenyl)silyl]methylsulfanyl]phenol
CID 91302127
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CID 88502408
2-tert-butyl-4,6-bis(octylsulfanyl)phenol
CID 123478115
4-butyl-2,6-ditert-butylphenol
CID 158079570
5-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpentan-2-one
CID 14989154
2,6-dibutyl-4-[[(3,5-dibutyl-4-hydroxyphenyl)sulfanylmethyl-dimethylsilyl]methylsulfanyl]phenol
CID 19103299
3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropanal
CID 14011816
2,6-ditert-butyl-4-(1-sulfanylpentyl)phenol
CID 174704090
4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl]phosphanylsulfanyl-2,6-ditert-butylphenol
CID 88686574
2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylheptanoic acid
CID 21449445
2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylhexanoic acid;hydrochloride
CID 88804902
7-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylheptanoic acid
CID 14796229

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[[dibutyl-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]silyl]methylsulfanyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[[dibutyl-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]silyl]methylsulfanyl]phenol (CID 19088165) is 2,6-ditert-butyl-4-[[dibutyl-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]silyl]methylsulfanyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[[dibutyl-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]silyl]methylsulfanyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[[dibutyl-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]silyl]methylsulfanyl]phenol is CCCC[Si](CCCC)(CSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-[[dibutyl-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]silyl]methylsulfanyl]phenol?
The InChIKey is RKUOLVKCORKCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H64O2S2Si/c1-15-17-19-43(20-18-16-2,25-41-27-21-29(35(3,4)5)33(39)30(22-27)36(6,7)8)26-42-28-23-31(37(9,10)11)34(40)32(24-28)38(12,13)14/h21-24,39-40H,15-20,25-26H2,1-14H3.
What are the key properties of 2,6-ditert-butyl-4-[[dibutyl-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]silyl]methylsulfanyl]phenol?
2,6-ditert-butyl-4-[[dibutyl-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]silyl]methylsulfanyl]phenol has a molecular weight of 645.15 g/mol, XLogP of 12.30, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[[dibutyl-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]silyl]methylsulfanyl]phenol is sourced from PubChem (CID 19088165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).