2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(1-phenylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+)

C30H50Cl2SiZr — CID 162282348

IUPAC2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(1-phenylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+)
SMILESCC(c1ccccc1)C1CC([Si](C)(C)C2CCC3CCCCC32)C2CCCCC12.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C28H44Si.2CH3.2ClH.Zr/c1-20(21-11-5-4-6-12-21)26-19-28(25-16-10-9-15-24(25)26)29(2,3)27-18-17-22-13-7-8-14-23(22)27;;;;;/h4-6,11-12,20,22-28H,7-10,13-19H2,1-3H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyNJUPIFPEISYHCU-UHFFFAOYSA-L
MW600.95 g/mol
LogP10.94
Rot. Bonds4

About 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(1-phenylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+)

2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(1-phenylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+) (PubChem CID 162282348) has the molecular formula C30H50Cl2SiZr and a molecular weight of 600.95 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(1-phenylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+).

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(1-phenylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+)
PubChem CID162282348
Molecular FormulaC30H50Cl2SiZr
Molecular Weight600.95 g/mol
Exact Mass598.21
IUPAC Name2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(1-phenylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+)
SMILESCC(c1ccccc1)C1CC([Si](C)(C)C2CCC3CCCCC32)C2CCCCC12.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C28H44Si.2CH3.2ClH.Zr/c1-20(21-11-5-4-6-12-21)26-19-28(25-16-10-9-15-24(25)26)29(2,3)27-18-17-22-13-7-8-14-23(22)27;;;;;/h4-6,11-12,20,22-28H,7-10,13-19H2,1-3H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyNJUPIFPEISYHCU-UHFFFAOYSA-L
XLogP10.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.95
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(1-phenylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+) with MolForge

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Related Compounds

dilithium;bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-butan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);(3-butan-2-yl-1H-inden-1-yl)-(1H-inden-1-yl)-dimethylsilane;(3-butan-2-yl-1H-inden-1-yl)-trimethylsilane;carbanide;dichlorozirconium(2+)
CID 162289026
bis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)
CID 162297844
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-phenylsilane
CID 90726871
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-tert-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+)
CID 162280286
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-benzyl-dimethylsilane
CID 162297716
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-[dimethyl-(3-pentan-2-yl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+)
CID 162289989
cumene;1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propan-2-ylcyclopentane
CID 162281103
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
dimethyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
CID 165155308
dilithium;2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;3H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane;trimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane
CID 162289965
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
1-[2-(2-methylpropyl)cyclohexyl]ethylbenzene
CID 154060487

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(1-phenylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+)?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(1-phenylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+) (CID 162282348) is 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(1-phenylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+).
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(1-phenylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+)?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(1-phenylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+) is CC(c1ccccc1)C1CC([Si](C)(C)C2CCC3CCCCC32)C2CCCCC12.Cl[Zr+2]Cl.[CH3-].[CH3-].
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(1-phenylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+)?
The InChIKey is NJUPIFPEISYHCU-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H44Si.2CH3.2ClH.Zr/c1-20(21-11-5-4-6-12-21)26-19-28(25-16-10-9-15-24(25)26)29(2,3)27-18-17-22-13-7-8-14-23(22)27;;;;;/h4-6,11-12,20,22-28H,7-10,13-19H2,1-3H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(1-phenylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+)?
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(1-phenylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+) has a molecular weight of 600.95 g/mol, XLogP of 10.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(1-phenylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+) is sourced from PubChem (CID 162282348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).