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+)

C32H62Cl2Si2Zr — CID 162289989

IUPAC2,3,3a,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+)
SMILESCCCC(C)C1CC([Si](C)(C)[Si](C)(C)C2CCC3CCCCC32)C2CC3CCCC3CC12.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C30H56Si2.2CH3.2ClH.Zr/c1-7-11-21(2)26-20-30(28-19-24-14-10-13-23(24)18-27(26)28)32(5,6)31(3,4)29-17-16-22-12-8-9-15-25(22)29;;;;;/h21-30H,7-20H2,1-6H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyMPGMRVUOSIXSBT-UHFFFAOYSA-L
MW665.15 g/mol
LogP12.00
Rot. Bonds6

About 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+)

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+) (PubChem CID 162289989) has the molecular formula C32H62Cl2Si2Zr and a molecular weight of 665.15 g/mol. Its IUPAC name is 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+).

Molecular Properties

Compound Name2,3,3a,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+)
PubChem CID162289989
Molecular FormulaC32H62Cl2Si2Zr
Molecular Weight665.15 g/mol
Exact Mass662.28
IUPAC Name2,3,3a,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+)
SMILESCCCC(C)C1CC([Si](C)(C)[Si](C)(C)C2CCC3CCCCC32)C2CC3CCCC3CC12.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C30H56Si2.2CH3.2ClH.Zr/c1-7-11-21(2)26-20-30(28-19-24-14-10-13-23(24)18-27(26)28)32(5,6)31(3,4)29-17-16-22-12-8-9-15-25(22)29;;;;;/h21-30H,7-20H2,1-6H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyMPGMRVUOSIXSBT-UHFFFAOYSA-L
XLogP12.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.15
LogP ≤ 512.00
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-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+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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+)?
The IUPAC name of 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) is 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+).
What is the SMILES notation for 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+)?
The canonical SMILES for 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+) is CCCC(C)C1CC([Si](C)(C)[Si](C)(C)C2CCC3CCCCC32)C2CC3CCCC3CC12.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-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+)?
The InChIKey is MPGMRVUOSIXSBT-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H56Si2.2CH3.2ClH.Zr/c1-7-11-21(2)26-20-30(28-19-24-14-10-13-23(24)18-27(26)28)32(5,6)31(3,4)29-17-16-22-12-8-9-15-25(22)29;;;;;/h21-30H,7-20H2,1-6H3;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-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+)?
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+) has a molecular weight of 665.15 g/mol, XLogP of 12.00, 6 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-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+) is sourced from PubChem (CID 162289989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).