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

C16H29Cl2NOSiTi-2 — CID 59110813

IUPAC[2,3,3a,7a-tetrahydro-1H-inden-2-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorotitanium
SMILESCC(C)(C)[N-][Si](C)(C)OC1CC2C=CC=CC2C1.Cl[Ti]Cl.[CH3-]
InChIInChI=1S/C15H26NOSi.CH3.2ClH.Ti/c1-15(2,3)16-18(4,5)17-14-10-12-8-6-7-9-13(12)11-14;;;;/h6-9,12-14H,10-11H2,1-5H3;1H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyDBRQACOCFWVMCZ-UHFFFAOYSA-L
MW398.27 g/mol
LogP6.22
Rot. Bonds3

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

[2,3,3a,7a-tetrahydro-1H-inden-2-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorotitanium (PubChem CID 59110813) has the molecular formula C16H29Cl2NOSiTi-2 and a molecular weight of 398.27 g/mol. Its IUPAC name is [2,3,3a,7a-tetrahydro-1H-inden-2-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorotitanium.

Molecular Properties

Compound Name[2,3,3a,7a-tetrahydro-1H-inden-2-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorotitanium
PubChem CID59110813
Molecular FormulaC16H29Cl2NOSiTi-2
Molecular Weight398.27 g/mol
Exact Mass397.09
IUPAC Name[2,3,3a,7a-tetrahydro-1H-inden-2-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorotitanium
SMILESCC(C)(C)[N-][Si](C)(C)OC1CC2C=CC=CC2C1.Cl[Ti]Cl.[CH3-]
InChIInChI=1S/C15H26NOSi.CH3.2ClH.Ti/c1-15(2,3)16-18(4,5)17-14-10-12-8-6-7-9-13(12)11-14;;;;/h6-9,12-14H,10-11H2,1-5H3;1H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyDBRQACOCFWVMCZ-UHFFFAOYSA-L
XLogP6.22
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.27
LogP ≤ 56.22
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;dichlorozirconium(2+)
CID 58666125
[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
[[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;titanium(4+)
CID 59110804
[2,3,3a,7a-tetrahydro-1H-inden-2-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;titanium(4+)
CID 59110806
tert-butyl-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]azanide;carbanide;dichlorotitanium
CID 59110809
[2,3,3a,7a-tetrahydro-1H-inden-1-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorotitanium
CID 140466705
[2,3,3a,7a-tetrahydro-1H-inden-1-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;titanium(4+)
CID 140466707
tert-butyl-[dimethyl-[(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)oxy]silyl]azanide;carbanide;dichlorotitanium
CID 140466708
lithium tert-butyl-[(3-methoxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilyl]azanide
CID 145818106
tert-butyl-[[2-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+)
CID 17759921
N-[[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-2-methylpropan-2-amine
CID 59110803

Frequently Asked Questions

What is the IUPAC name of [2,3,3a,7a-tetrahydro-1H-inden-2-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorotitanium?
The IUPAC name of [2,3,3a,7a-tetrahydro-1H-inden-2-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorotitanium (CID 59110813) is [2,3,3a,7a-tetrahydro-1H-inden-2-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorotitanium.
What is the SMILES notation for [2,3,3a,7a-tetrahydro-1H-inden-2-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorotitanium?
The canonical SMILES for [2,3,3a,7a-tetrahydro-1H-inden-2-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorotitanium is CC(C)(C)[N-][Si](C)(C)OC1CC2C=CC=CC2C1.Cl[Ti]Cl.[CH3-].
What is the InChIKey of [2,3,3a,7a-tetrahydro-1H-inden-2-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorotitanium?
The InChIKey is DBRQACOCFWVMCZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H26NOSi.CH3.2ClH.Ti/c1-15(2,3)16-18(4,5)17-14-10-12-8-6-7-9-13(12)11-14;;;;/h6-9,12-14H,10-11H2,1-5H3;1H3;2*1H;/q2*-1;;;+2/p-2.
What are the key properties of [2,3,3a,7a-tetrahydro-1H-inden-2-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorotitanium?
[2,3,3a,7a-tetrahydro-1H-inden-2-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorotitanium has a molecular weight of 398.27 g/mol, XLogP of 6.22, 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-2-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;dichlorotitanium is sourced from PubChem (CID 59110813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).