[[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;dichlorotitanium

C16H29Cl2NOSiTi-2 — CID 59110802

IUPAC[[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;dichlorotitanium
SMILESCC(C)(C)[N-][Si](C)(C)O[C@@H]1CCC2C=CC=CC21.Cl[Ti]Cl.[CH3-]
InChIInChI=1S/C15H26NOSi.CH3.2ClH.Ti/c1-15(2,3)16-18(4,5)17-14-11-10-12-8-6-7-9-13(12)14;;;;/h6-9,12-14H,10-11H2,1-5H3;1H3;2*1H;/q2*-1;;;+2/p-2/t12?,13?,14-;;;;/m1..../s1
InChIKeyAIRMPWIXXHCRQS-XILDNEIGSA-L
MW398.27 g/mol
LogP6.22
Rot. Bonds3

About [[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;dichlorotitanium

[[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;dichlorotitanium (PubChem CID 59110802) has the molecular formula C16H29Cl2NOSiTi-2 and a molecular weight of 398.27 g/mol. Its IUPAC name is [[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;dichlorotitanium.

Molecular Properties

Compound Name[[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;dichlorotitanium
PubChem CID59110802
Molecular FormulaC16H29Cl2NOSiTi-2
Molecular Weight398.27 g/mol
Exact Mass397.09
IUPAC Name[[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;dichlorotitanium
SMILESCC(C)(C)[N-][Si](C)(C)O[C@@H]1CCC2C=CC=CC21.Cl[Ti]Cl.[CH3-]
InChIInChI=1S/C15H26NOSi.CH3.2ClH.Ti/c1-15(2,3)16-18(4,5)17-14-11-10-12-8-6-7-9-13(12)14;;;;/h6-9,12-14H,10-11H2,1-5H3;1H3;2*1H;/q2*-1;;;+2/p-2/t12?,13?,14-;;;;/m1..../s1
InChIKeyAIRMPWIXXHCRQS-XILDNEIGSA-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

N-[2,3,3a,7a-tetrahydro-1H-inden-1-yloxy(dimethyl)silyl]-2-methylpropan-2-amine
CID 72519678
lithium;1-methoxy-2,3,3a,7a-tetrahydro-1H-indene;propane
CID 162289523
[(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)
CID 162297833
bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(dimethylazanide);zirconium(4+)
CID 23230084
tert-butyl-dimethyl-[(1-methyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)oxy]silane
CID 20678371
bis(tert-butyl-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]azanide);carbanide;zirconium(4+)
CID 18689454
7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane
CID 15418774
[2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-(2-methoxyethyl)azanide;dichlorozirconium(2+)
CID 23229521
2,3,3a,7a-tetrahydro-1H-inden-1-yl-dimethyl-phenylsilane
CID 59962316
tert-butyl-[[3-[2-[3-[tert-butylazanidyl(dimethyl)silyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+);zirconium(4+)
CID 23232326
carbanide;dichlorotitanium;(1R)-1-[(1S)-1-[(1S,3R)-2,3,4,5-tetramethylcyclopentyl]ethyl]-2,3,3a,7a-tetrahydro-1H-indene
CID 59962321
2,3,3a,7a-tetrahydro-1H-indene;dichlorotitanium;(tritert-butyl-λ5-phosphanylidene)azanide
CID 23232464

Frequently Asked Questions

What is the IUPAC name of [[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;dichlorotitanium?
The IUPAC name of [[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;dichlorotitanium (CID 59110802) is [[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;dichlorotitanium.
What is the SMILES notation for [[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;dichlorotitanium?
The canonical SMILES for [[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;dichlorotitanium is CC(C)(C)[N-][Si](C)(C)O[C@@H]1CCC2C=CC=CC21.Cl[Ti]Cl.[CH3-].
What is the InChIKey of [[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;dichlorotitanium?
The InChIKey is AIRMPWIXXHCRQS-XILDNEIGSA-L. The full InChI is InChI=1S/C15H26NOSi.CH3.2ClH.Ti/c1-15(2,3)16-18(4,5)17-14-11-10-12-8-6-7-9-13(12)14;;;;/h6-9,12-14H,10-11H2,1-5H3;1H3;2*1H;/q2*-1;;;+2/p-2/t12?,13?,14-;;;;/m1..../s1.
What are the key properties of [[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;dichlorotitanium?
[[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-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 [[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;dichlorotitanium is sourced from PubChem (CID 59110802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).