2,6-ditert-butyl-4-[[(2-methoxyphenyl)-bis(2-methylpropyl)silyl]methylsulfanyl]phenol

C30H48O2SSi — CID 91433800

IUPAC2,6-ditert-butyl-4-[[(2-methoxyphenyl)-bis(2-methylpropyl)silyl]methylsulfanyl]phenol
SMILESCOc1ccccc1[Si](CSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(CC(C)C)CC(C)C
InChIInChI=1S/C30H48O2SSi/c1-21(2)18-34(19-22(3)4,27-15-13-12-14-26(27)32-11)20-33-23-16-24(29(5,6)7)28(31)25(17-23)30(8,9)10/h12-17,21-22,31H,18-20H2,1-11H3
InChIKeyUHXIBNMHKZOZAV-UHFFFAOYSA-N
MW500.87 g/mol
LogP8.30
Rot. Bonds9

About 2,6-ditert-butyl-4-[[(2-methoxyphenyl)-bis(2-methylpropyl)silyl]methylsulfanyl]phenol

2,6-ditert-butyl-4-[[(2-methoxyphenyl)-bis(2-methylpropyl)silyl]methylsulfanyl]phenol (PubChem CID 91433800) has the molecular formula C30H48O2SSi and a molecular weight of 500.87 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[[(2-methoxyphenyl)-bis(2-methylpropyl)silyl]methylsulfanyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[[(2-methoxyphenyl)-bis(2-methylpropyl)silyl]methylsulfanyl]phenol
PubChem CID91433800
Molecular FormulaC30H48O2SSi
Molecular Weight500.87 g/mol
Exact Mass500.31
IUPAC Name2,6-ditert-butyl-4-[[(2-methoxyphenyl)-bis(2-methylpropyl)silyl]methylsulfanyl]phenol
SMILESCOc1ccccc1[Si](CSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(CC(C)C)CC(C)C
InChIInChI=1S/C30H48O2SSi/c1-21(2)18-34(19-22(3)4,27-15-13-12-14-26(27)32-11)20-33-23-16-24(29(5,6)7)28(31)25(17-23)30(8,9)10/h12-17,21-22,31H,18-20H2,1-11H3
InChIKeyUHXIBNMHKZOZAV-UHFFFAOYSA-N
XLogP8.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.87
LogP ≤ 58.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
2-tert-butyl-4-(3-tert-butyl-4-hydroxy-5-methoxyphenyl)sulfanyl-6-methoxyphenol
CID 19389438
2,6-ditert-butyl-4-[[dibutyl-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]silyl]methylsulfanyl]phenol
CID 19088165
2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid
CID 19363172
2,6-ditert-butyl-4-[(2R)-1-chloropropan-2-yl]sulfanylphenol
CID 54059051
4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethylsulfanyl]-2,6-ditert-butylphenol
CID 21474688
4-[2-(2-amino-3-methoxyphenyl)ethyl]-2,6-ditert-butylphenol
CID 19960491
2-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]benzonitrile
CID 15027735
3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-N,N-di(propan-2-yl)propanamide
CID 14479948
2,6-ditert-butyl-4-[[(3,5-ditert-butyl-4-hydroxyphenyl)-(4-methoxyphenyl)methyl]sulfanyl-(4-methoxyphenyl)methyl]phenol
CID 5141697
2,6-ditert-butyl-4-methoxyphenol
CID 10269
2-tert-butyl-6-methoxybenzene-1,4-diol
CID 121217885

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[[(2-methoxyphenyl)-bis(2-methylpropyl)silyl]methylsulfanyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[[(2-methoxyphenyl)-bis(2-methylpropyl)silyl]methylsulfanyl]phenol (CID 91433800) is 2,6-ditert-butyl-4-[[(2-methoxyphenyl)-bis(2-methylpropyl)silyl]methylsulfanyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[[(2-methoxyphenyl)-bis(2-methylpropyl)silyl]methylsulfanyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[[(2-methoxyphenyl)-bis(2-methylpropyl)silyl]methylsulfanyl]phenol is COc1ccccc1[Si](CSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(CC(C)C)CC(C)C.
What is the InChIKey of 2,6-ditert-butyl-4-[[(2-methoxyphenyl)-bis(2-methylpropyl)silyl]methylsulfanyl]phenol?
The InChIKey is UHXIBNMHKZOZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48O2SSi/c1-21(2)18-34(19-22(3)4,27-15-13-12-14-26(27)32-11)20-33-23-16-24(29(5,6)7)28(31)25(17-23)30(8,9)10/h12-17,21-22,31H,18-20H2,1-11H3.
What are the key properties of 2,6-ditert-butyl-4-[[(2-methoxyphenyl)-bis(2-methylpropyl)silyl]methylsulfanyl]phenol?
2,6-ditert-butyl-4-[[(2-methoxyphenyl)-bis(2-methylpropyl)silyl]methylsulfanyl]phenol has a molecular weight of 500.87 g/mol, XLogP of 8.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[[(2-methoxyphenyl)-bis(2-methylpropyl)silyl]methylsulfanyl]phenol is sourced from PubChem (CID 91433800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).