bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-methyl-(3-trimethylsilyloxypropyl)silane;carbanide;dichlorozirconium(2+)

C27H54Cl2OSi2Zr — CID 162297769

IUPACbis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-methyl-(3-trimethylsilyloxypropyl)silane;carbanide;dichlorozirconium(2+)
SMILESC[Si](C)(C)OCCC[Si](C)(C1CC2CCCCC2C1)C1CC2CCCCC2C1.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C25H48OSi2.2CH3.2ClH.Zr/c1-27(2,3)26-14-9-15-28(4,24-16-20-10-5-6-11-21(20)17-24)25-18-22-12-7-8-13-23(22)19-25;;;;;/h20-25H,5-19H2,1-4H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyDUSKYWKSYOTVNR-UHFFFAOYSA-L
MW613.03 g/mol
LogP10.52
Rot. Bonds7

About bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-methyl-(3-trimethylsilyloxypropyl)silane;carbanide;dichlorozirconium(2+)

bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-methyl-(3-trimethylsilyloxypropyl)silane;carbanide;dichlorozirconium(2+) (PubChem CID 162297769) has the molecular formula C27H54Cl2OSi2Zr and a molecular weight of 613.03 g/mol. Its IUPAC name is bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-methyl-(3-trimethylsilyloxypropyl)silane;carbanide;dichlorozirconium(2+).

Molecular Properties

Compound Namebis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-methyl-(3-trimethylsilyloxypropyl)silane;carbanide;dichlorozirconium(2+)
PubChem CID162297769
Molecular FormulaC27H54Cl2OSi2Zr
Molecular Weight613.03 g/mol
Exact Mass610.21
IUPAC Namebis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-methyl-(3-trimethylsilyloxypropyl)silane;carbanide;dichlorozirconium(2+)
SMILESC[Si](C)(C)OCCC[Si](C)(C1CC2CCCCC2C1)C1CC2CCCCC2C1.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C25H48OSi2.2CH3.2ClH.Zr/c1-27(2,3)26-14-9-15-28(4,24-16-20-10-5-6-11-21(20)17-24)25-18-22-12-7-8-13-23(22)19-25;;;;;/h20-25H,5-19H2,1-4H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyDUSKYWKSYOTVNR-UHFFFAOYSA-L
XLogP10.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.03
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-methyl-(3-trimethylsilyloxypropyl)silane;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 bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-methyl-(3-trimethylsilyloxypropyl)silane;carbanide;dichlorozirconium(2+)?
The IUPAC name of bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-methyl-(3-trimethylsilyloxypropyl)silane;carbanide;dichlorozirconium(2+) (CID 162297769) is bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-methyl-(3-trimethylsilyloxypropyl)silane;carbanide;dichlorozirconium(2+).
What is the SMILES notation for bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-methyl-(3-trimethylsilyloxypropyl)silane;carbanide;dichlorozirconium(2+)?
The canonical SMILES for bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-methyl-(3-trimethylsilyloxypropyl)silane;carbanide;dichlorozirconium(2+) is C[Si](C)(C)OCCC[Si](C)(C1CC2CCCCC2C1)C1CC2CCCCC2C1.Cl[Zr+2]Cl.[CH3-].[CH3-].
What is the InChIKey of bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-methyl-(3-trimethylsilyloxypropyl)silane;carbanide;dichlorozirconium(2+)?
The InChIKey is DUSKYWKSYOTVNR-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H48OSi2.2CH3.2ClH.Zr/c1-27(2,3)26-14-9-15-28(4,24-16-20-10-5-6-11-21(20)17-24)25-18-22-12-7-8-13-23(22)19-25;;;;;/h20-25H,5-19H2,1-4H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2.
What are the key properties of bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-methyl-(3-trimethylsilyloxypropyl)silane;carbanide;dichlorozirconium(2+)?
bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-methyl-(3-trimethylsilyloxypropyl)silane;carbanide;dichlorozirconium(2+) has a molecular weight of 613.03 g/mol, XLogP of 10.52, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-methyl-(3-trimethylsilyloxypropyl)silane;carbanide;dichlorozirconium(2+) is sourced from PubChem (CID 162297769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).