[3-tert-butyl-2-(4-tert-butylcyclopenta-1,3-dien-1-yl)inden-4-ylidene]-dimethylsilane

C24H32Si — CID 87934243

IUPAC[3-tert-butyl-2-(4-tert-butylcyclopenta-1,3-dien-1-yl)inden-4-ylidene]-dimethylsilane
SMILESC[Si](C)=c1cccc2c1=C(C(C)(C)C)C(C1=CC=C(C(C)(C)C)C1)=C2
InChIInChI=1S/C24H32Si/c1-23(2,3)18-13-12-16(14-18)19-15-17-10-9-11-20(25(7)8)21(17)22(19)24(4,5)6/h9-13,15H,14H2,1-8H3
InChIKeyDNQZCPJJMYJHOE-UHFFFAOYSA-N
MW348.61 g/mol
LogP6.17
Rot. Bonds1

About [3-tert-butyl-2-(4-tert-butylcyclopenta-1,3-dien-1-yl)inden-4-ylidene]-dimethylsilane

[3-tert-butyl-2-(4-tert-butylcyclopenta-1,3-dien-1-yl)inden-4-ylidene]-dimethylsilane (PubChem CID 87934243) has the molecular formula C24H32Si and a molecular weight of 348.61 g/mol. Its IUPAC name is [3-tert-butyl-2-(4-tert-butylcyclopenta-1,3-dien-1-yl)inden-4-ylidene]-dimethylsilane.

Molecular Properties

Compound Name[3-tert-butyl-2-(4-tert-butylcyclopenta-1,3-dien-1-yl)inden-4-ylidene]-dimethylsilane
PubChem CID87934243
Molecular FormulaC24H32Si
Molecular Weight348.61 g/mol
Exact Mass348.23
IUPAC Name[3-tert-butyl-2-(4-tert-butylcyclopenta-1,3-dien-1-yl)inden-4-ylidene]-dimethylsilane
SMILESC[Si](C)=c1cccc2c1=C(C(C)(C)C)C(C1=CC=C(C(C)(C)C)C1)=C2
InChIInChI=1S/C24H32Si/c1-23(2,3)18-13-12-16(14-18)19-15-17-10-9-11-20(25(7)8)21(17)22(19)24(4,5)6/h9-13,15H,14H2,1-8H3
InChIKeyDNQZCPJJMYJHOE-UHFFFAOYSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.61
LogP ≤ 56.17
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

trimethyl-[(1E,3E)-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]silane
CID 11470674
trimethyl-[(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl]silane
CID 15143647
[(E)-4-(4-tert-butylcyclohexylidene)but-2-enyl]-trimethylsilane
CID 101077362
[(Z)-4-(4-tert-butylcyclohexylidene)but-2-enyl]-trimethylsilane
CID 134993728
bis[(1R)-2,4-ditert-butylcyclopenta-2,4-dien-1-yl]-dimethylsilane
CID 139174999
(3-Tert-butylcyclopenta-2,4-dien-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 12053436
dimethyl-bis(4,5,6,7-tetrahydro-1H-inden-1-yl)silane
CID 15405481
dimethyl-bis(2-methyl-4,5,6,7-tetrahydro-1H-inden-1-yl)silane
CID 15514063
Bis(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane
CID 15820800
tert-butyl-dimethyl-(4,5,6,7-tetrahydro-1H-inden-1-ylmethyl)silane
CID 17783004
tert-butyl-dimethyl-[(2-methyl-4,5,6,7-tetrahydro-1H-inden-1-yl)methyl]silane
CID 17783008
tert-butyl-dimethyl-[(1-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methyl]silane
CID 17783024

Frequently Asked Questions

What is the IUPAC name of [3-tert-butyl-2-(4-tert-butylcyclopenta-1,3-dien-1-yl)inden-4-ylidene]-dimethylsilane?
The IUPAC name of [3-tert-butyl-2-(4-tert-butylcyclopenta-1,3-dien-1-yl)inden-4-ylidene]-dimethylsilane (CID 87934243) is [3-tert-butyl-2-(4-tert-butylcyclopenta-1,3-dien-1-yl)inden-4-ylidene]-dimethylsilane.
What is the SMILES notation for [3-tert-butyl-2-(4-tert-butylcyclopenta-1,3-dien-1-yl)inden-4-ylidene]-dimethylsilane?
The canonical SMILES for [3-tert-butyl-2-(4-tert-butylcyclopenta-1,3-dien-1-yl)inden-4-ylidene]-dimethylsilane is C[Si](C)=c1cccc2c1=C(C(C)(C)C)C(C1=CC=C(C(C)(C)C)C1)=C2.
What is the InChIKey of [3-tert-butyl-2-(4-tert-butylcyclopenta-1,3-dien-1-yl)inden-4-ylidene]-dimethylsilane?
The InChIKey is DNQZCPJJMYJHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32Si/c1-23(2,3)18-13-12-16(14-18)19-15-17-10-9-11-20(25(7)8)21(17)22(19)24(4,5)6/h9-13,15H,14H2,1-8H3.
What are the key properties of [3-tert-butyl-2-(4-tert-butylcyclopenta-1,3-dien-1-yl)inden-4-ylidene]-dimethylsilane?
[3-tert-butyl-2-(4-tert-butylcyclopenta-1,3-dien-1-yl)inden-4-ylidene]-dimethylsilane has a molecular weight of 348.61 g/mol, XLogP of 6.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-tert-butyl-2-(4-tert-butylcyclopenta-1,3-dien-1-yl)inden-4-ylidene]-dimethylsilane is sourced from PubChem (CID 87934243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).