4-bromo-2-methyl-1H-inden-1-ide;cyclopenta-1,3-diene;propan-2-ol;silylidenemethanol;zirconium(2+)

C19H25BrO2SiZr — CID 151940165

IUPAC4-bromo-2-methyl-1H-inden-1-ide;cyclopenta-1,3-diene;propan-2-ol;silylidenemethanol;zirconium(2+)
SMILESCC(C)O.Cc1cc2c(Br)cccc2[cH-]1.OC=[SiH2].[Zr+2].c1cc[cH-]c1
InChIInChI=1S/C10H8Br.C5H5.C3H8O.CH4OSi.Zr/c1-7-5-8-3-2-4-10(11)9(8)6-7;1-2-4-5-3-1;1-3(2)4;2-1-3;/h2-6H,1H3;1-5H;3-4H,1-2H3;1-2H,3H2;/q2*-1;;;+2
InChIKeyVIJPIKZCFWWPPD-UHFFFAOYSA-N
MW484.62 g/mol
LogP4.17
Rot. Bonds

About 4-bromo-2-methyl-1H-inden-1-ide;cyclopenta-1,3-diene;propan-2-ol;silylidenemethanol;zirconium(2+)

4-bromo-2-methyl-1H-inden-1-ide;cyclopenta-1,3-diene;propan-2-ol;silylidenemethanol;zirconium(2+) (PubChem CID 151940165) has the molecular formula C19H25BrO2SiZr and a molecular weight of 484.62 g/mol. Its IUPAC name is 4-bromo-2-methyl-1H-inden-1-ide;cyclopenta-1,3-diene;propan-2-ol;silylidenemethanol;zirconium(2+).

Molecular Properties

Compound Name4-bromo-2-methyl-1H-inden-1-ide;cyclopenta-1,3-diene;propan-2-ol;silylidenemethanol;zirconium(2+)
PubChem CID151940165
Molecular FormulaC19H25BrO2SiZr
Molecular Weight484.62 g/mol
Exact Mass481.99
IUPAC Name4-bromo-2-methyl-1H-inden-1-ide;cyclopenta-1,3-diene;propan-2-ol;silylidenemethanol;zirconium(2+)
SMILESCC(C)O.Cc1cc2c(Br)cccc2[cH-]1.OC=[SiH2].[Zr+2].c1cc[cH-]c1
InChIInChI=1S/C10H8Br.C5H5.C3H8O.CH4OSi.Zr/c1-7-5-8-3-2-4-10(11)9(8)6-7;1-2-4-5-3-1;1-3(2)4;2-1-3;/h2-6H,1H3;1-5H;3-4H,1-2H3;1-2H,3H2;/q2*-1;;;+2
InChIKeyVIJPIKZCFWWPPD-UHFFFAOYSA-N
XLogP4.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-2-methyl-1H-inden-1-ide;cyclopenta-1,3-diene;propan-2-ol;silylidenemethanol;zirconium(2+) with MolForge

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Related Compounds

CID 173153802
CID 173153802
bis(2,4-dimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 18538203
hafnium;bis(2-methyl-4-propan-2-yl-1H-inden-1-ide)
CID 140767491
CID 87394522
CID 87394522
cyclopenta-1,3-diene;dichlorozirconium(2+);10-(2-methyl-1H-inden-1-id-4-yl)phenothiazine
CID 154434342
4-bromo-2-methyl-1H-inden-1-ide;5-methyl-3,6a-dihydrocyclopenta[b]thiophen-3-ide;zirconium(4+);dichloride
CID 87162327
4-ethyl-2-methyl-1H-inden-1-ide;tetramethylsilane;zirconium
CID 174376953
bis(2-bromophenol);bis(cyclopenta-1,3-diene);zirconium(2+)
CID 141004794
CID 173284099
CID 173284099
benzhydrylidenezirconium(2+);cyclopenta-1,3-diene;2-methyl-1H-inden-1-ide;dichloride
CID 161242255
CID 173168918
CID 173168918
hafnium;2-methyl-4-phenyl-1H-inden-1-ide
CID 154081664

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-1H-inden-1-ide;cyclopenta-1,3-diene;propan-2-ol;silylidenemethanol;zirconium(2+)?
The IUPAC name of 4-bromo-2-methyl-1H-inden-1-ide;cyclopenta-1,3-diene;propan-2-ol;silylidenemethanol;zirconium(2+) (CID 151940165) is 4-bromo-2-methyl-1H-inden-1-ide;cyclopenta-1,3-diene;propan-2-ol;silylidenemethanol;zirconium(2+).
What is the SMILES notation for 4-bromo-2-methyl-1H-inden-1-ide;cyclopenta-1,3-diene;propan-2-ol;silylidenemethanol;zirconium(2+)?
The canonical SMILES for 4-bromo-2-methyl-1H-inden-1-ide;cyclopenta-1,3-diene;propan-2-ol;silylidenemethanol;zirconium(2+) is CC(C)O.Cc1cc2c(Br)cccc2[cH-]1.OC=[SiH2].[Zr+2].c1cc[cH-]c1.
What is the InChIKey of 4-bromo-2-methyl-1H-inden-1-ide;cyclopenta-1,3-diene;propan-2-ol;silylidenemethanol;zirconium(2+)?
The InChIKey is VIJPIKZCFWWPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br.C5H5.C3H8O.CH4OSi.Zr/c1-7-5-8-3-2-4-10(11)9(8)6-7;1-2-4-5-3-1;1-3(2)4;2-1-3;/h2-6H,1H3;1-5H;3-4H,1-2H3;1-2H,3H2;/q2*-1;;;+2.
What are the key properties of 4-bromo-2-methyl-1H-inden-1-ide;cyclopenta-1,3-diene;propan-2-ol;silylidenemethanol;zirconium(2+)?
4-bromo-2-methyl-1H-inden-1-ide;cyclopenta-1,3-diene;propan-2-ol;silylidenemethanol;zirconium(2+) has a molecular weight of 484.62 g/mol, XLogP of 4.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-1H-inden-1-ide;cyclopenta-1,3-diene;propan-2-ol;silylidenemethanol;zirconium(2+) is sourced from PubChem (CID 151940165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).