[2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-(2-methoxyethyl)azanide;dichlorozirconium(2+)

C14H24Cl2NOSiZr+ — CID 23229521

IUPAC[2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-(2-methoxyethyl)azanide;dichlorozirconium(2+)
SMILESCOCC[N-][Si](C)(C)C1CCC2C=CC=CC21.Cl[Zr+2]Cl
InChIInChI=1S/C14H24NOSi.2ClH.Zr/c1-16-11-10-15-17(2,3)14-9-8-12-6-4-5-7-13(12)14;;;/h4-7,12-14H,8-11H2,1-3H3;2*1H;/q-1;;;+4/p-2
InChIKeyZNBOHEXIWMWGRS-UHFFFAOYSA-L
MW412.57 g/mol
LogP5.11
Rot. Bonds5

About [2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-(2-methoxyethyl)azanide;dichlorozirconium(2+)

[2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-(2-methoxyethyl)azanide;dichlorozirconium(2+) (PubChem CID 23229521) has the molecular formula C14H24Cl2NOSiZr+ and a molecular weight of 412.57 g/mol. Its IUPAC name is [2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-(2-methoxyethyl)azanide;dichlorozirconium(2+).

Molecular Properties

Compound Name[2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-(2-methoxyethyl)azanide;dichlorozirconium(2+)
PubChem CID23229521
Molecular FormulaC14H24Cl2NOSiZr+
Molecular Weight412.57 g/mol
Exact Mass410.00
IUPAC Name[2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-(2-methoxyethyl)azanide;dichlorozirconium(2+)
SMILESCOCC[N-][Si](C)(C)C1CCC2C=CC=CC21.Cl[Zr+2]Cl
InChIInChI=1S/C14H24NOSi.2ClH.Zr/c1-16-11-10-15-17(2,3)14-9-8-12-6-4-5-7-13(12)14;;;/h4-7,12-14H,8-11H2,1-3H3;2*1H;/q-1;;;+4/p-2
InChIKeyZNBOHEXIWMWGRS-UHFFFAOYSA-L
XLogP5.11
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.57
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(dimethylazanide);zirconium(4+)
CID 23230084
2,3,3a,7a-tetrahydro-1H-inden-1-yl-dimethyl-phenylsilane
CID 59962316
bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-(6,6,6-trifluorohexyl)silane
CID 123504348
lithium;carbanide;dichlorozirconium(2+);methane;bis(1-methyl-2,3,3a,7a-tetrahydro-1H-indene);bis(1,2,3,4,5-pentamethylcyclopentane);trichlorozirconium
CID 162272221
carbanide;dichlorozirconium(2+);dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
CID 162298480
[(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-cyclohexyl-nonylsilane
CID 59985902
[[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;dichlorotitanium
CID 59110802
2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)phosphane;carbanide;chloro-cyclopentyl-methylboranuide;dichlorozirconium(2+);chloride
CID 162294944
N-[2,3,3a,7a-tetrahydro-1H-inden-1-yloxy(dimethyl)silyl]-2-methylpropan-2-amine
CID 72519678
2,3,3a,7a-tetrahydro-1H-inden-1-yl-(5-tert-butyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
CID 140886613
[3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane;zirconium(2+);dichloride
CID 18622729
2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)phosphane
CID 59930608

Frequently Asked Questions

What is the IUPAC name of [2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-(2-methoxyethyl)azanide;dichlorozirconium(2+)?
The IUPAC name of [2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-(2-methoxyethyl)azanide;dichlorozirconium(2+) (CID 23229521) is [2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-(2-methoxyethyl)azanide;dichlorozirconium(2+).
What is the SMILES notation for [2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-(2-methoxyethyl)azanide;dichlorozirconium(2+)?
The canonical SMILES for [2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-(2-methoxyethyl)azanide;dichlorozirconium(2+) is COCC[N-][Si](C)(C)C1CCC2C=CC=CC21.Cl[Zr+2]Cl.
What is the InChIKey of [2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-(2-methoxyethyl)azanide;dichlorozirconium(2+)?
The InChIKey is ZNBOHEXIWMWGRS-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H24NOSi.2ClH.Zr/c1-16-11-10-15-17(2,3)14-9-8-12-6-4-5-7-13(12)14;;;/h4-7,12-14H,8-11H2,1-3H3;2*1H;/q-1;;;+4/p-2.
What are the key properties of [2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-(2-methoxyethyl)azanide;dichlorozirconium(2+)?
[2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-(2-methoxyethyl)azanide;dichlorozirconium(2+) has a molecular weight of 412.57 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-(2-methoxyethyl)azanide;dichlorozirconium(2+) is sourced from PubChem (CID 23229521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).