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

C20H32Si — CID 15820796

IUPACbis(3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethylsilane
SMILESCC(C)(C)C1=CCC([Si](C)(C)C2=CC(C(C)(C)C)=CC2)=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/h9-10,13-14H,11-12H2,1-8H3
InChIKeyIKELHZSKVFIPRP-UHFFFAOYSA-N
MW300.56 g/mol
LogP6.38
Rot. Bonds2

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

bis(3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethylsilane (PubChem CID 15820796) has the molecular formula C20H32Si and a molecular weight of 300.56 g/mol. Its IUPAC name is bis(3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethylsilane
PubChem CID15820796
Molecular FormulaC20H32Si
Molecular Weight300.56 g/mol
Exact Mass300.23
IUPAC Namebis(3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethylsilane
SMILESCC(C)(C)C1=CCC([Si](C)(C)C2=CC(C(C)(C)C)=CC2)=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/h9-10,13-14H,11-12H2,1-8H3
InChIKeyIKELHZSKVFIPRP-UHFFFAOYSA-N
XLogP6.38
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 ≤ 56.38
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 bis(3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethylsilane?
The IUPAC name of bis(3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethylsilane (CID 15820796) is bis(3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethylsilane.
What is the SMILES notation for bis(3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethylsilane?
The canonical SMILES for bis(3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethylsilane is CC(C)(C)C1=CCC([Si](C)(C)C2=CC(C(C)(C)C)=CC2)=C1.
What is the InChIKey of bis(3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethylsilane?
The InChIKey is IKELHZSKVFIPRP-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/h9-10,13-14H,11-12H2,1-8H3.
What are the key properties of bis(3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethylsilane?
bis(3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethylsilane has a molecular weight of 300.56 g/mol, XLogP of 6.38, 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-1,3-dien-1-yl)-dimethylsilane is sourced from PubChem (CID 15820796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).