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

C22H36Si — CID 15820800

IUPACbis(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane
SMILESCC1=C([Si](C)(C)C2=C(C)C=C(C(C)(C)C)C2)CC(C(C)(C)C)=C1
InChIInChI=1S/C22H36Si/c1-15-11-17(21(3,4)5)13-19(15)23(9,10)20-14-18(12-16(20)2)22(6,7)8/h11-12H,13-14H2,1-10H3
InChIKeySNDKPJCVYXNZTL-UHFFFAOYSA-N
MW328.62 g/mol
LogP7.16
Rot. Bonds2

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

bis(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane (PubChem CID 15820800) has the molecular formula C22H36Si and a molecular weight of 328.62 g/mol. Its IUPAC name is bis(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane
PubChem CID15820800
Molecular FormulaC22H36Si
Molecular Weight328.62 g/mol
Exact Mass328.26
IUPAC Namebis(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane
SMILESCC1=C([Si](C)(C)C2=C(C)C=C(C(C)(C)C)C2)CC(C(C)(C)C)=C1
InChIInChI=1S/C22H36Si/c1-15-11-17(21(3,4)5)13-19(15)23(9,10)20-14-18(12-16(20)2)22(6,7)8/h11-12H,13-14H2,1-10H3
InChIKeySNDKPJCVYXNZTL-UHFFFAOYSA-N
XLogP7.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.62
LogP ≤ 57.16
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(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane?
The IUPAC name of bis(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane (CID 15820800) is bis(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane.
What is the SMILES notation for bis(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane?
The canonical SMILES for bis(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane is CC1=C([Si](C)(C)C2=C(C)C=C(C(C)(C)C)C2)CC(C(C)(C)C)=C1.
What is the InChIKey of bis(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane?
The InChIKey is SNDKPJCVYXNZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36Si/c1-15-11-17(21(3,4)5)13-19(15)23(9,10)20-14-18(12-16(20)2)22(6,7)8/h11-12H,13-14H2,1-10H3.
What are the key properties of bis(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane?
bis(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane has a molecular weight of 328.62 g/mol, XLogP of 7.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane is sourced from PubChem (CID 15820800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).