(3,4-diethylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane

C11H18Si — CID 22599278

IUPAC(3,4-diethylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane
SMILESCCC1=CC(=[Si](C)C)C=C1CC
InChIInChI=1S/C11H18Si/c1-5-9-7-11(12(3)4)8-10(9)6-2/h7-8H,5-6H2,1-4H3
InChIKeyCLKAMZSZWLKHFP-UHFFFAOYSA-N
MW178.35 g/mol
LogP3.18
Rot. Bonds2

About (3,4-diethylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane

(3,4-diethylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane (PubChem CID 22599278) has the molecular formula C11H18Si and a molecular weight of 178.35 g/mol. Its IUPAC name is (3,4-diethylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane.

Molecular Properties

Compound Name(3,4-diethylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane
PubChem CID22599278
Molecular FormulaC11H18Si
Molecular Weight178.35 g/mol
Exact Mass178.12
IUPAC Name(3,4-diethylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane
SMILESCCC1=CC(=[Si](C)C)C=C1CC
InChIInChI=1S/C11H18Si/c1-5-9-7-11(12(3)4)8-10(9)6-2/h7-8H,5-6H2,1-4H3
InChIKeyCLKAMZSZWLKHFP-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.35
LogP ≤ 53.18
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 (3,4-diethylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane?
The IUPAC name of (3,4-diethylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane (CID 22599278) is (3,4-diethylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane.
What is the SMILES notation for (3,4-diethylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane?
The canonical SMILES for (3,4-diethylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane is CCC1=CC(=[Si](C)C)C=C1CC.
What is the InChIKey of (3,4-diethylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane?
The InChIKey is CLKAMZSZWLKHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Si/c1-5-9-7-11(12(3)4)8-10(9)6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of (3,4-diethylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane?
(3,4-diethylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane has a molecular weight of 178.35 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane is sourced from PubChem (CID 22599278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).