6-tert-butyl-3-(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-3,5,5-trimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-diene

C22H34Si — CID 87834614

IUPAC6-tert-butyl-3-(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-3,5,5-trimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-diene
SMILESCC1=C(C2(C)C=C3C(C(C)(C)C)=C2[Si]3(C)C)CC(C(C)(C)C)=C1
InChIInChI=1S/C22H34Si/c1-14-11-15(20(2,3)4)12-16(14)22(8)13-17-18(21(5,6)7)19(22)23(17,9)10/h11,13H,12H2,1-10H3
InChIKeyQTWCKCATUJVGCG-UHFFFAOYSA-N
MW326.60 g/mol
LogP6.77
Rot. Bonds1

About 6-tert-butyl-3-(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-3,5,5-trimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-diene

6-tert-butyl-3-(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-3,5,5-trimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-diene (PubChem CID 87834614) has the molecular formula C22H34Si and a molecular weight of 326.60 g/mol. Its IUPAC name is 6-tert-butyl-3-(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-3,5,5-trimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-diene.

Molecular Properties

Compound Name6-tert-butyl-3-(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-3,5,5-trimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-diene
PubChem CID87834614
Molecular FormulaC22H34Si
Molecular Weight326.60 g/mol
Exact Mass326.24
IUPAC Name6-tert-butyl-3-(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-3,5,5-trimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-diene
SMILESCC1=C(C2(C)C=C3C(C(C)(C)C)=C2[Si]3(C)C)CC(C(C)(C)C)=C1
InChIInChI=1S/C22H34Si/c1-14-11-15(20(2,3)4)12-16(14)22(8)13-17-18(21(5,6)7)19(22)23(17,9)10/h11,13H,12H2,1-10H3
InChIKeyQTWCKCATUJVGCG-UHFFFAOYSA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-tert-butyl-3-(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-3,5,5-trimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-diene with MolForge

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Related Compounds

bis[(1R)-2,4-ditert-butylcyclopenta-2,4-dien-1-yl]-dimethylsilane
CID 139174999
Bis(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane
CID 15820800
trimethyl-[4,4,7-trimethyl-7-(3-trimethylsilylcyclopenta-1,3-dien-1-yl)-5,6-dihydro-1H-inden-2-yl]silane
CID 19606732
[2-(2,2-Dimethylpropyl)-3-methylcyclopenta-1,3-dien-1-yl]-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-dimethylsilane
CID 19710418
Trimethyl-[3-[2-(3-trimethylsilylcyclopenta-1,4-dien-1-yl)hex-5-en-2-yl]cyclopenta-2,4-dien-1-yl]silane
CID 20679586
[4-Tert-butyl-2-[(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane
CID 22117996
[3-(3-Tert-butylcyclopenta-1,3-dien-1-yl)-4-methylcyclopenta-2,4-dien-1-ylidene]-dimethylsilane
CID 22927281
dimethyl-bis(2,4,4-trimethyl-5,6,7,8-tetrahydro-1H-azulen-1-yl)silane
CID 53860741
Bis(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)-dimethylsilane
CID 54518904
Bis(2,4-ditert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane
CID 86034093
CID 87834613
CID 87834613
[3-Tert-butyl-2-(4-tert-butylcyclopenta-1,3-dien-1-yl)inden-4-ylidene]-dimethylsilane
CID 87934243

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-3,5,5-trimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-diene?
The IUPAC name of 6-tert-butyl-3-(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-3,5,5-trimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-diene (CID 87834614) is 6-tert-butyl-3-(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-3,5,5-trimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-diene.
What is the SMILES notation for 6-tert-butyl-3-(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-3,5,5-trimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-diene?
The canonical SMILES for 6-tert-butyl-3-(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-3,5,5-trimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-diene is CC1=C(C2(C)C=C3C(C(C)(C)C)=C2[Si]3(C)C)CC(C(C)(C)C)=C1.
What is the InChIKey of 6-tert-butyl-3-(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-3,5,5-trimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-diene?
The InChIKey is QTWCKCATUJVGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34Si/c1-14-11-15(20(2,3)4)12-16(14)22(8)13-17-18(21(5,6)7)19(22)23(17,9)10/h11,13H,12H2,1-10H3.
What are the key properties of 6-tert-butyl-3-(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-3,5,5-trimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-diene?
6-tert-butyl-3-(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-3,5,5-trimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-diene has a molecular weight of 326.60 g/mol, XLogP of 6.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-3,5,5-trimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-diene is sourced from PubChem (CID 87834614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).