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

C22H36Si — CID 19606763

IUPACbis(3-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane
SMILESCCCCC1=CCC([Si](C)(C)C2=C(C)C(CCCC)=CC2)=C1C
InChIInChI=1S/C22H36Si/c1-7-9-11-19-13-15-21(17(19)3)23(5,6)22-16-14-20(18(22)4)12-10-8-2/h13-14H,7-12,15-16H2,1-6H3
InChIKeyUAJULPUWLSPBOC-UHFFFAOYSA-N
MW328.62 g/mol
LogP7.45
Rot. Bonds8

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

bis(3-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane (PubChem CID 19606763) has the molecular formula C22H36Si and a molecular weight of 328.62 g/mol. Its IUPAC name is bis(3-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(3-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane
PubChem CID19606763
Molecular FormulaC22H36Si
Molecular Weight328.62 g/mol
Exact Mass328.26
IUPAC Namebis(3-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane
SMILESCCCCC1=CCC([Si](C)(C)C2=C(C)C(CCCC)=CC2)=C1C
InChIInChI=1S/C22H36Si/c1-7-9-11-19-13-15-21(17(19)3)23(5,6)22-16-14-20(18(22)4)12-10-8-2/h13-14H,7-12,15-16H2,1-6H3
InChIKeyUAJULPUWLSPBOC-UHFFFAOYSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.62
LogP ≤ 57.45
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-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane?
The IUPAC name of bis(3-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane (CID 19606763) is bis(3-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane.
What is the SMILES notation for bis(3-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane?
The canonical SMILES for bis(3-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane is CCCCC1=CCC([Si](C)(C)C2=C(C)C(CCCC)=CC2)=C1C.
What is the InChIKey of bis(3-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane?
The InChIKey is UAJULPUWLSPBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36Si/c1-7-9-11-19-13-15-21(17(19)3)23(5,6)22-16-14-20(18(22)4)12-10-8-2/h13-14H,7-12,15-16H2,1-6H3.
What are the key properties of bis(3-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane?
bis(3-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane has a molecular weight of 328.62 g/mol, XLogP of 7.45, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane is sourced from PubChem (CID 19606763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).