[2,3,3a,7a-tetrahydro-1H-inden-4-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorozirconium(2+)

C16H29Cl2NOSiZr — CID 58666125

IUPAC[2,3,3a,7a-tetrahydro-1H-inden-4-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorozirconium(2+)
SMILESCC(C)(C)[N-][Si](C)(C)OC1=CC=CC2CCCC12.Cl[Zr+2]Cl.[CH3-]
InChIInChI=1S/C15H26NOSi.CH3.2ClH.Zr/c1-15(2,3)16-18(4,5)17-14-11-7-9-12-8-6-10-13(12)14;;;;/h7,9,11-13H,6,8,10H2,1-5H3;1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyADEITOVLZCRSEE-UHFFFAOYSA-L
MW441.63 g/mol
LogP6.57
Rot. Bonds3

About [2,3,3a,7a-tetrahydro-1H-inden-4-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorozirconium(2+)

[2,3,3a,7a-tetrahydro-1H-inden-4-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorozirconium(2+) (PubChem CID 58666125) has the molecular formula C16H29Cl2NOSiZr and a molecular weight of 441.63 g/mol. Its IUPAC name is [2,3,3a,7a-tetrahydro-1H-inden-4-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorozirconium(2+).

Molecular Properties

Compound Name[2,3,3a,7a-tetrahydro-1H-inden-4-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorozirconium(2+)
PubChem CID58666125
Molecular FormulaC16H29Cl2NOSiZr
Molecular Weight441.63 g/mol
Exact Mass439.04
IUPAC Name[2,3,3a,7a-tetrahydro-1H-inden-4-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorozirconium(2+)
SMILESCC(C)(C)[N-][Si](C)(C)OC1=CC=CC2CCCC12.Cl[Zr+2]Cl.[CH3-]
InChIInChI=1S/C15H26NOSi.CH3.2ClH.Zr/c1-15(2,3)16-18(4,5)17-14-11-7-9-12-8-6-10-13(12)14;;;;/h7,9,11-13H,6,8,10H2,1-5H3;1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyADEITOVLZCRSEE-UHFFFAOYSA-L
XLogP6.57
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.63
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

[2,3,3a,7a-tetrahydro-1H-inden-4-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorotitanium
CID 58666140
[[(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-2-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorotitanium
CID 59110813
[2,3,3a,7a-tetrahydro-1H-inden-1-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorotitanium
CID 140466705
N-[2,3,3a,7a-tetrahydro-1H-inden-4-yloxy(dimethyl)silyl]-2-methylpropan-2-amine
CID 58666126

Frequently Asked Questions

What is the IUPAC name of [2,3,3a,7a-tetrahydro-1H-inden-4-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorozirconium(2+)?
The IUPAC name of [2,3,3a,7a-tetrahydro-1H-inden-4-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorozirconium(2+) (CID 58666125) is [2,3,3a,7a-tetrahydro-1H-inden-4-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorozirconium(2+).
What is the SMILES notation for [2,3,3a,7a-tetrahydro-1H-inden-4-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorozirconium(2+)?
The canonical SMILES for [2,3,3a,7a-tetrahydro-1H-inden-4-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorozirconium(2+) is CC(C)(C)[N-][Si](C)(C)OC1=CC=CC2CCCC12.Cl[Zr+2]Cl.[CH3-].
What is the InChIKey of [2,3,3a,7a-tetrahydro-1H-inden-4-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorozirconium(2+)?
The InChIKey is ADEITOVLZCRSEE-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H26NOSi.CH3.2ClH.Zr/c1-15(2,3)16-18(4,5)17-14-11-7-9-12-8-6-10-13(12)14;;;;/h7,9,11-13H,6,8,10H2,1-5H3;1H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of [2,3,3a,7a-tetrahydro-1H-inden-4-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorozirconium(2+)?
[2,3,3a,7a-tetrahydro-1H-inden-4-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorozirconium(2+) has a molecular weight of 441.63 g/mol, XLogP of 6.57, 3 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-4-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorozirconium(2+) is sourced from PubChem (CID 58666125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).