bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane

C16H24Si — CID 12998001

IUPACbis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane
SMILESCC1=CCC(C)=C1[Si](C)(C)C1=C(C)CC=C1C
InChIInChI=1S/C16H24Si/c1-11-7-8-12(2)15(11)17(5,6)16-13(3)9-10-14(16)4/h7,9H,8,10H2,1-6H3
InChIKeyFEGFRAKKPYGFIV-UHFFFAOYSA-N
MW244.45 g/mol
LogP5.11
Rot. Bonds2

About bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane

bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane (PubChem CID 12998001) has the molecular formula C16H24Si and a molecular weight of 244.45 g/mol. Its IUPAC name is bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane
PubChem CID12998001
Molecular FormulaC16H24Si
Molecular Weight244.45 g/mol
Exact Mass244.16
IUPAC Namebis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane
SMILESCC1=CCC(C)=C1[Si](C)(C)C1=C(C)CC=C1C
InChIInChI=1S/C16H24Si/c1-11-7-8-12(2)15(11)17(5,6)16-13(3)9-10-14(16)4/h7,9H,8,10H2,1-6H3
InChIKeyFEGFRAKKPYGFIV-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.45
LogP ≤ 55.11
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(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane?
The IUPAC name of bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane (CID 12998001) is bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane.
What is the SMILES notation for bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane?
The canonical SMILES for bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane is CC1=CCC(C)=C1[Si](C)(C)C1=C(C)CC=C1C.
What is the InChIKey of bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane?
The InChIKey is FEGFRAKKPYGFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Si/c1-11-7-8-12(2)15(11)17(5,6)16-13(3)9-10-14(16)4/h7,9H,8,10H2,1-6H3.
What are the key properties of bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane?
bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane has a molecular weight of 244.45 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane is sourced from PubChem (CID 12998001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).