ditert-butyl-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

C27H46Si2 — CID 173473115

IUPACditert-butyl-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C([Si](c2cc(C)cc([Si](C)(C)C)c2)(C(C)(C)C)C(C)(C)C)C(C)=C1C
InChIInChI=1S/C27H46Si2/c1-18-15-23(28(12,13)14)17-24(16-18)29(26(6,7)8,27(9,10)11)25-21(4)19(2)20(3)22(25)5/h15-17,25H,1-14H3
InChIKeyZGAYKSRQYMHZEF-UHFFFAOYSA-N
MW426.84 g/mol
LogP7.85
Rot. Bonds3

About ditert-butyl-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

ditert-butyl-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 173473115) has the molecular formula C27H46Si2 and a molecular weight of 426.84 g/mol. Its IUPAC name is ditert-butyl-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Nameditert-butyl-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID173473115
Molecular FormulaC27H46Si2
Molecular Weight426.84 g/mol
Exact Mass426.31
IUPAC Nameditert-butyl-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C([Si](c2cc(C)cc([Si](C)(C)C)c2)(C(C)(C)C)C(C)(C)C)C(C)=C1C
InChIInChI=1S/C27H46Si2/c1-18-15-23(28(12,13)14)17-24(16-18)29(26(6,7)8,27(9,10)11)25-21(4)19(2)20(3)22(25)5/h15-17,25H,1-14H3
InChIKeyZGAYKSRQYMHZEF-UHFFFAOYSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.84
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of ditert-butyl-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 173473115) is ditert-butyl-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for ditert-butyl-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for ditert-butyl-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is CC1=C(C)C([Si](c2cc(C)cc([Si](C)(C)C)c2)(C(C)(C)C)C(C)(C)C)C(C)=C1C.
What is the InChIKey of ditert-butyl-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is ZGAYKSRQYMHZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46Si2/c1-18-15-23(28(12,13)14)17-24(16-18)29(26(6,7)8,27(9,10)11)25-21(4)19(2)20(3)22(25)5/h15-17,25H,1-14H3.
What are the key properties of ditert-butyl-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
ditert-butyl-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 426.84 g/mol, XLogP of 7.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 173473115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).