4-ethyl-2-methyl-1H-inden-1-ide;tetramethylsilane;zirconium

C16H25SiZr- — CID 174376953

IUPAC4-ethyl-2-methyl-1H-inden-1-ide;tetramethylsilane;zirconium
SMILESCCc1cccc2[cH-]c(C)cc12.C[Si](C)(C)C.[Zr]
InChIInChI=1S/C12H13.C4H12Si.Zr/c1-3-10-5-4-6-11-7-9(2)8-12(10)11;1-5(2,3)4;/h4-8H,3H2,1-2H3;1-4H3;/q-1;;
InChIKeyAZQFGFZZEKCBDJ-UHFFFAOYSA-N
MW336.69 g/mol
LogP5.38
Rot. Bonds1

About 4-ethyl-2-methyl-1H-inden-1-ide;tetramethylsilane;zirconium

4-ethyl-2-methyl-1H-inden-1-ide;tetramethylsilane;zirconium (PubChem CID 174376953) has the molecular formula C16H25SiZr- and a molecular weight of 336.69 g/mol. Its IUPAC name is 4-ethyl-2-methyl-1H-inden-1-ide;tetramethylsilane;zirconium.

Molecular Properties

Compound Name4-ethyl-2-methyl-1H-inden-1-ide;tetramethylsilane;zirconium
PubChem CID174376953
Molecular FormulaC16H25SiZr-
Molecular Weight336.69 g/mol
Exact Mass335.08
IUPAC Name4-ethyl-2-methyl-1H-inden-1-ide;tetramethylsilane;zirconium
SMILESCCc1cccc2[cH-]c(C)cc12.C[Si](C)(C)C.[Zr]
InChIInChI=1S/C12H13.C4H12Si.Zr/c1-3-10-5-4-6-11-7-9(2)8-12(10)11;1-5(2,3)4;/h4-8H,3H2,1-2H3;1-4H3;/q-1;;
InChIKeyAZQFGFZZEKCBDJ-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.69
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-propyl-1H-inden-1-ide;zirconium
CID 174349249
CID 87847665
CID 87847665
2,4-diethyl-1H-inden-1-ide;hafnium;dichloride
CID 159398719
dichlorozirconium;2,4-diethyl-1H-inden-1-ide
CID 173263602
bis(2,4-dimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 18538203
CID 87823696
CID 87823696
CID 173192664
CID 173192664
dichlorozirconium;4-(4-ethylphenyl)-2-methyl-1H-inden-1-ide
CID 140997786
4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide;zirconium;dihydrochloride
CID 175331642
hafnium;bis(2-methyl-4-propan-2-yl-1H-inden-1-ide)
CID 140767491
4-(4-butylphenyl)-2-methyl-1H-inden-1-ide;zirconium
CID 142736081
CID 173073018
CID 173073018

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-1H-inden-1-ide;tetramethylsilane;zirconium?
The IUPAC name of 4-ethyl-2-methyl-1H-inden-1-ide;tetramethylsilane;zirconium (CID 174376953) is 4-ethyl-2-methyl-1H-inden-1-ide;tetramethylsilane;zirconium.
What is the SMILES notation for 4-ethyl-2-methyl-1H-inden-1-ide;tetramethylsilane;zirconium?
The canonical SMILES for 4-ethyl-2-methyl-1H-inden-1-ide;tetramethylsilane;zirconium is CCc1cccc2[cH-]c(C)cc12.C[Si](C)(C)C.[Zr].
What is the InChIKey of 4-ethyl-2-methyl-1H-inden-1-ide;tetramethylsilane;zirconium?
The InChIKey is AZQFGFZZEKCBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13.C4H12Si.Zr/c1-3-10-5-4-6-11-7-9(2)8-12(10)11;1-5(2,3)4;/h4-8H,3H2,1-2H3;1-4H3;/q-1;;.
What are the key properties of 4-ethyl-2-methyl-1H-inden-1-ide;tetramethylsilane;zirconium?
4-ethyl-2-methyl-1H-inden-1-ide;tetramethylsilane;zirconium has a molecular weight of 336.69 g/mol, XLogP of 5.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-1H-inden-1-ide;tetramethylsilane;zirconium is sourced from PubChem (CID 174376953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).