bis(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane

C20H32Si — CID 11001089

IUPACbis(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane
SMILESCC(C)(C)C1=CC([Si](C)(C)C2C=CC(C(C)(C)C)=C2)C=C1
InChIInChI=1S/C20H32Si/c1-19(2,3)15-9-11-17(13-15)21(7,8)18-12-10-16(14-18)20(4,5)6/h9-14,17-18H,1-8H3
InChIKeyANJHTOUUADABQR-UHFFFAOYSA-N
MW300.56 g/mol
LogP6.52
Rot. Bonds2

About bis(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane

bis(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane (PubChem CID 11001089) has the molecular formula C20H32Si and a molecular weight of 300.56 g/mol. Its IUPAC name is bis(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane
PubChem CID11001089
Molecular FormulaC20H32Si
Molecular Weight300.56 g/mol
Exact Mass300.23
IUPAC Namebis(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane
SMILESCC(C)(C)C1=CC([Si](C)(C)C2C=CC(C(C)(C)C)=C2)C=C1
InChIInChI=1S/C20H32Si/c1-19(2,3)15-9-11-17(13-15)21(7,8)18-12-10-16(14-18)20(4,5)6/h9-14,17-18H,1-8H3
InChIKeyANJHTOUUADABQR-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 56.52
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

Hafnium 2-tert-butylcyclopenta-1,3-dien-1-ide methanide (1/2/2)
CID 73988869
[2-[(E)-2-(3,3-dimethyl-2-trimethylsilylcyclopropen-1-yl)ethenyl]-3,3-dimethylcyclopropen-1-yl]-trimethylsilane
CID 21601812
(5-Tert-butylcyclopenta-1,3-dien-1-yl)-trimethylsilane
CID 134888747
(3-tert-Butylcyclopenta-2,4-dien-1-yl)(chloro)dimethylsilane
CID 71353501
1-Triethylsilyl-4,5,5-trimethyl-1,3-hexadiene
CID 129763368
CID 138970666
CID 138970666
bis[(1R)-2,4-ditert-butylcyclopenta-2,4-dien-1-yl]-dimethylsilane
CID 139174999
1,3-Cyclopentadiene, 1,5,5-trimethyl-2-(trimethylsilyl)-
CID 552276
1,3-Cyclopentadiene, 5,5-dimethyl-1-(trimethylsilylmethyl)-
CID 552783
(2-Ethenyl-3,3-dimethylcyclopropen-1-yl)-trimethylsilane
CID 11019231
(3-Tert-butylcyclopenta-2,4-dien-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 12053436
Cyclopenta-2,4-dien-1-yl-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 12053442

Frequently Asked Questions

What is the IUPAC name of bis(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The IUPAC name of bis(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane (CID 11001089) is bis(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane.
What is the SMILES notation for bis(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The canonical SMILES for bis(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane is CC(C)(C)C1=CC([Si](C)(C)C2C=CC(C(C)(C)C)=C2)C=C1.
What is the InChIKey of bis(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The InChIKey is ANJHTOUUADABQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32Si/c1-19(2,3)15-9-11-17(13-15)21(7,8)18-12-10-16(14-18)20(4,5)6/h9-14,17-18H,1-8H3.
What are the key properties of bis(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
bis(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane has a molecular weight of 300.56 g/mol, XLogP of 6.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane is sourced from PubChem (CID 11001089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).