tert-butyl-(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane

C27H36Si — CID 173473927

IUPACtert-butyl-(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=CC(C)([Si](c2ccccc2)(c2cc(C)cc(C)c2)C(C)(C)C)C(C)=C1C
InChIInChI=1S/C27H36Si/c1-19-15-20(2)17-25(16-19)28(26(6,7)8,24-13-11-10-12-14-24)27(9)18-21(3)22(4)23(27)5/h10-18H,1-9H3
InChIKeyLRZSDQSPXDCZLN-UHFFFAOYSA-N
MW388.67 g/mol
LogP6.72
Rot. Bonds3

About tert-butyl-(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane

tert-butyl-(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 173473927) has the molecular formula C27H36Si and a molecular weight of 388.67 g/mol. Its IUPAC name is tert-butyl-(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Nametert-butyl-(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID173473927
Molecular FormulaC27H36Si
Molecular Weight388.67 g/mol
Exact Mass388.26
IUPAC Nametert-butyl-(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=CC(C)([Si](c2ccccc2)(c2cc(C)cc(C)c2)C(C)(C)C)C(C)=C1C
InChIInChI=1S/C27H36Si/c1-19-15-20(2)17-25(16-19)28(26(6,7)8,24-13-11-10-12-14-24)27(9)18-21(3)22(4)23(27)5/h10-18H,1-9H3
InChIKeyLRZSDQSPXDCZLN-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.67
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173472930
diphenyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 18686554
(3,5-dimethylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-bis(4-trimethylsilylphenyl)silane
CID 173474312
(3,5-diethylphenyl)-(4-methylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473874
methyl-(2-methylpropyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473069
bis(2,3-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473659
octadecyl-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473518
(3,5-diethylphenyl)-(2,4-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473760
bis(4-butylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173474111
(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-tris(2,3,5,6-tetraphenylphenyl)silane
CID 173473215
(3,5-diethylphenyl)-(2-methylpropyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473039
tris(4-methyl-2,5-diphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473344

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of tert-butyl-(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 173473927) is tert-butyl-(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for tert-butyl-(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for tert-butyl-(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is CC1=CC(C)([Si](c2ccccc2)(c2cc(C)cc(C)c2)C(C)(C)C)C(C)=C1C.
What is the InChIKey of tert-butyl-(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is LRZSDQSPXDCZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36Si/c1-19-15-20(2)17-25(16-19)28(26(6,7)8,24-13-11-10-12-14-24)27(9)18-21(3)22(4)23(27)5/h10-18H,1-9H3.
What are the key properties of tert-butyl-(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
tert-butyl-(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 388.67 g/mol, XLogP of 6.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 173473927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).