bis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)

C30H54Cl2SiZr — CID 162297844

IUPACbis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)
SMILESC[Si](C)(C1CCC2CC3CCCCC3CC21)C1CCC2CC3CCCCC3CC21.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C28H48Si.2CH3.2ClH.Zr/c1-29(2,27-13-11-23-15-19-7-3-5-9-21(19)17-25(23)27)28-14-12-24-16-20-8-4-6-10-22(20)18-26(24)28;;;;;/h19-28H,3-18H2,1-2H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyXOBNWJSPZLEPJA-UHFFFAOYSA-L
MW604.98 g/mol
LogP10.97
Rot. Bonds2

About bis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)

bis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane;carbanide;dichlorozirconium(2+) (PubChem CID 162297844) has the molecular formula C30H54Cl2SiZr and a molecular weight of 604.98 g/mol. Its IUPAC name is bis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane;carbanide;dichlorozirconium(2+).

Molecular Properties

Compound Namebis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)
PubChem CID162297844
Molecular FormulaC30H54Cl2SiZr
Molecular Weight604.98 g/mol
Exact Mass602.24
IUPAC Namebis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)
SMILESC[Si](C)(C1CCC2CC3CCCCC3CC21)C1CCC2CC3CCCCC3CC21.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C28H48Si.2CH3.2ClH.Zr/c1-29(2,27-13-11-23-15-19-7-3-5-9-21(19)17-25(23)27)28-14-12-24-16-20-8-4-6-10-22(20)18-26(24)28;;;;;/h19-28H,3-18H2,1-2H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyXOBNWJSPZLEPJA-UHFFFAOYSA-L
XLogP10.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.98
LogP ≤ 510.97
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 bis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane;carbanide;dichlorozirconium(2+) with MolForge

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Related Compounds

carbanide;dichlorozirconium(2+);pentacyclo[13.7.0.04,12.05,10.017,22]docosane
CID 162298653
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-tert-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+)
CID 162280286
N-[2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl(dimethyl)silyl]-N-tert-butyl-2-methylpropan-2-amine
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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
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
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
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CID 175433867
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(5-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
CID 140886651
(1R,6S)-bicyclo[4.1.0]heptane
CID 638054
tetracyclo[6.6.2.22,7.19,14]nonadecane
CID 123381567
dilithium;bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl-dimethyl-(3-pentan-2-yl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane);carbanide;dichlorozirconium(2+);dimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)-(1,5,6,7-tetrahydro-s-indacen-1-yl)silane;trimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)silane
CID 162289967
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 21972

Frequently Asked Questions

What is the IUPAC name of bis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)?
The IUPAC name of 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) is bis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane;carbanide;dichlorozirconium(2+).
What is the SMILES notation for bis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)?
The canonical SMILES for bis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane;carbanide;dichlorozirconium(2+) is C[Si](C)(C1CCC2CC3CCCCC3CC21)C1CCC2CC3CCCCC3CC21.Cl[Zr+2]Cl.[CH3-].[CH3-].
What is the InChIKey of bis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)?
The InChIKey is XOBNWJSPZLEPJA-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H48Si.2CH3.2ClH.Zr/c1-29(2,27-13-11-23-15-19-7-3-5-9-21(19)17-25(23)27)28-14-12-24-16-20-8-4-6-10-22(20)18-26(24)28;;;;;/h19-28H,3-18H2,1-2H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2.
What are the key properties of bis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)?
bis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane;carbanide;dichlorozirconium(2+) has a molecular weight of 604.98 g/mol, XLogP of 10.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane;carbanide;dichlorozirconium(2+) is sourced from PubChem (CID 162297844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).