(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methanidyl-dimethylsilane;carbanide;dichlorozirconium(2+)

C14H27BrCl2SiZr — CID 58675330

IUPAC(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methanidyl-dimethylsilane;carbanide;dichlorozirconium(2+)
SMILESCl[Zr+2]Cl.[CH2-][Si](C)(C)C1C(C)CC2C(Br)CCCC21.[CH3-]
InChIInChI=1S/C13H24BrSi.CH3.2ClH.Zr/c1-9-8-11-10(6-5-7-12(11)14)13(9)15(2,3)4;;;;/h9-13H,2,5-8H2,1,3-4H3;1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyHYAMDZHYODURER-UHFFFAOYSA-L
MW465.49 g/mol
LogP6.48
Rot. Bonds1

About (4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methanidyl-dimethylsilane;carbanide;dichlorozirconium(2+)

(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methanidyl-dimethylsilane;carbanide;dichlorozirconium(2+) (PubChem CID 58675330) has the molecular formula C14H27BrCl2SiZr and a molecular weight of 465.49 g/mol. Its IUPAC name is (4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methanidyl-dimethylsilane;carbanide;dichlorozirconium(2+).

Molecular Properties

Compound Name(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methanidyl-dimethylsilane;carbanide;dichlorozirconium(2+)
PubChem CID58675330
Molecular FormulaC14H27BrCl2SiZr
Molecular Weight465.49 g/mol
Exact Mass461.95
IUPAC Name(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methanidyl-dimethylsilane;carbanide;dichlorozirconium(2+)
SMILESCl[Zr+2]Cl.[CH2-][Si](C)(C)C1C(C)CC2C(Br)CCCC21.[CH3-]
InChIInChI=1S/C13H24BrSi.CH3.2ClH.Zr/c1-9-8-11-10(6-5-7-12(11)14)13(9)15(2,3)4;;;;/h9-13H,2,5-8H2,1,3-4H3;1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyHYAMDZHYODURER-UHFFFAOYSA-L
XLogP6.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.49
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
CID 59832556
bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+);bis(phenyl(3-phenylazanidylpropyl)azanide);zirconium(4+)
CID 162286301
bis(4-bromo-2,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
CID 58692100
bis[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethylsilane;carbanide;dichlorozirconium(2+)
CID 162292584
carbanide;dichlorozirconium(2+);dimethyl-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[3-(2-methylpentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane
CID 162289980
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-dimethyl-(15-tetracyclo[10.2.1.05,14.08,13]pentadecanyl)silane;carbanide;dichlorozirconium(2+)
CID 162297824
[(1S,2S,4R)-4-bromo-2-methyl-6-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(1S,2S,4R,6S)-4-bromo-2-methyl-6-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
CID 91868180
carbanide;dichlorozirconium(2+);dimethyl-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[3-(2-methylhexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane
CID 162290150
7-methyltricyclo[4.3.0.02,9]nonane
CID 152833936
cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane
CID 91373089
carbanide;[4-(3,5-ditert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(3,4-dimethyl-7-thiatricyclo[6.4.0.02,6]dodecan-5-yl)-dimethylsilane;dichlorozirconium(2+)
CID 162298356
carbanide;dichlorozirconium(2+);dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
CID 162298480

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methanidyl-dimethylsilane;carbanide;dichlorozirconium(2+)?
The IUPAC name of (4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methanidyl-dimethylsilane;carbanide;dichlorozirconium(2+) (CID 58675330) is (4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methanidyl-dimethylsilane;carbanide;dichlorozirconium(2+).
What is the SMILES notation for (4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methanidyl-dimethylsilane;carbanide;dichlorozirconium(2+)?
The canonical SMILES for (4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methanidyl-dimethylsilane;carbanide;dichlorozirconium(2+) is Cl[Zr+2]Cl.[CH2-][Si](C)(C)C1C(C)CC2C(Br)CCCC21.[CH3-].
What is the InChIKey of (4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methanidyl-dimethylsilane;carbanide;dichlorozirconium(2+)?
The InChIKey is HYAMDZHYODURER-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H24BrSi.CH3.2ClH.Zr/c1-9-8-11-10(6-5-7-12(11)14)13(9)15(2,3)4;;;;/h9-13H,2,5-8H2,1,3-4H3;1H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of (4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methanidyl-dimethylsilane;carbanide;dichlorozirconium(2+)?
(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methanidyl-dimethylsilane;carbanide;dichlorozirconium(2+) has a molecular weight of 465.49 g/mol, XLogP of 6.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methanidyl-dimethylsilane;carbanide;dichlorozirconium(2+) is sourced from PubChem (CID 58675330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).