2-tert-butyl-4-methyl-6-[methyl-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenol

C27H36OSi — CID 102299898

IUPAC2-tert-butyl-4-methyl-6-[methyl-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenol
SMILESCC1=C(C)C([Si](C)(c2ccccc2)c2cc(C)cc(C(C)(C)C)c2O)C(C)=C1C
InChIInChI=1S/C27H36OSi/c1-17-15-23(27(6,7)8)25(28)24(16-17)29(9,22-13-11-10-12-14-22)26-20(4)18(2)19(3)21(26)5/h10-16,26,28H,1-9H3
InChIKeyOGLORQHEOJSDOG-UHFFFAOYSA-N
MW404.67 g/mol
LogP6.25
Rot. Bonds3

About 2-tert-butyl-4-methyl-6-[methyl-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenol

2-tert-butyl-4-methyl-6-[methyl-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenol (PubChem CID 102299898) has the molecular formula C27H36OSi and a molecular weight of 404.67 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-6-[methyl-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-6-[methyl-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenol
PubChem CID102299898
Molecular FormulaC27H36OSi
Molecular Weight404.67 g/mol
Exact Mass404.25
IUPAC Name2-tert-butyl-4-methyl-6-[methyl-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenol
SMILESCC1=C(C)C([Si](C)(c2ccccc2)c2cc(C)cc(C(C)(C)C)c2O)C(C)=C1C
InChIInChI=1S/C27H36OSi/c1-17-15-23(27(6,7)8)25(28)24(16-17)29(9,22-13-11-10-12-14-22)26-20(4)18(2)19(3)21(26)5/h10-16,26,28H,1-9H3
InChIKeyOGLORQHEOJSDOG-UHFFFAOYSA-N
XLogP6.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.67
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-4-methyl-6-[methyl-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenol 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-tert-butyl-4-methyl-6-phenylphenol
CID 14315744
2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol
CID 19042670
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol
CID 1271819
bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 152748108
CID 11434414
CID 11434414
2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride
CID 87931050
2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride
CID 87485865
2-tert-butyl-4-methyl-6-[(1-methylcyclopenta-2,4-dien-1-yl)-phenylphosphanyl]phenol
CID 139753681
(3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 87556260

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-6-[methyl-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenol?
The IUPAC name of 2-tert-butyl-4-methyl-6-[methyl-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenol (CID 102299898) is 2-tert-butyl-4-methyl-6-[methyl-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenol.
What is the SMILES notation for 2-tert-butyl-4-methyl-6-[methyl-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenol?
The canonical SMILES for 2-tert-butyl-4-methyl-6-[methyl-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenol is CC1=C(C)C([Si](C)(c2ccccc2)c2cc(C)cc(C(C)(C)C)c2O)C(C)=C1C.
What is the InChIKey of 2-tert-butyl-4-methyl-6-[methyl-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenol?
The InChIKey is OGLORQHEOJSDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36OSi/c1-17-15-23(27(6,7)8)25(28)24(16-17)29(9,22-13-11-10-12-14-22)26-20(4)18(2)19(3)21(26)5/h10-16,26,28H,1-9H3.
What are the key properties of 2-tert-butyl-4-methyl-6-[methyl-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenol?
2-tert-butyl-4-methyl-6-[methyl-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenol has a molecular weight of 404.67 g/mol, XLogP of 6.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-6-[methyl-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenol is sourced from PubChem (CID 102299898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).