carbanide;dichlorozirconium(2+);[(1S)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]-[(4R)-2,3,4,5,6,7-hexahydro-1H-inden-4-yl]-dimethylsilane

C22H38Cl2SiZr — CID 157302065

IUPACcarbanide;dichlorozirconium(2+);[(1S)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]-[(4R)-2,3,4,5,6,7-hexahydro-1H-inden-4-yl]-dimethylsilane
SMILESC[Si](C)([C@@H]1CCCC2=C1CCC2)[C@H]1CCC2=C1CCCC2.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C20H32Si.2CH3.2ClH.Zr/c1-21(2,19-12-6-9-15-8-5-11-18(15)19)20-14-13-16-7-3-4-10-17(16)20;;;;;/h19-20H,3-14H2,1-2H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2/t19-,20+;;;;;/m1...../s1
InChIKeyBCADADBBPQZKGH-MYMHIIFBSA-L
MW492.76 g/mol
LogP9.04
Rot. Bonds2

About carbanide;dichlorozirconium(2+);[(1S)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]-[(4R)-2,3,4,5,6,7-hexahydro-1H-inden-4-yl]-dimethylsilane

carbanide;dichlorozirconium(2+);[(1S)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]-[(4R)-2,3,4,5,6,7-hexahydro-1H-inden-4-yl]-dimethylsilane (PubChem CID 157302065) has the molecular formula C22H38Cl2SiZr and a molecular weight of 492.76 g/mol. Its IUPAC name is carbanide;dichlorozirconium(2+);[(1S)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]-[(4R)-2,3,4,5,6,7-hexahydro-1H-inden-4-yl]-dimethylsilane.

Molecular Properties

Compound Namecarbanide;dichlorozirconium(2+);[(1S)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]-[(4R)-2,3,4,5,6,7-hexahydro-1H-inden-4-yl]-dimethylsilane
PubChem CID157302065
Molecular FormulaC22H38Cl2SiZr
Molecular Weight492.76 g/mol
Exact Mass490.12
IUPAC Namecarbanide;dichlorozirconium(2+);[(1S)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]-[(4R)-2,3,4,5,6,7-hexahydro-1H-inden-4-yl]-dimethylsilane
SMILESC[Si](C)([C@@H]1CCCC2=C1CCC2)[C@H]1CCC2=C1CCCC2.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C20H32Si.2CH3.2ClH.Zr/c1-21(2,19-12-6-9-15-8-5-11-18(15)19)20-14-13-16-7-3-4-10-17(16)20;;;;;/h19-20H,3-14H2,1-2H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2/t19-,20+;;;;;/m1...../s1
InChIKeyBCADADBBPQZKGH-MYMHIIFBSA-L
XLogP9.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.76
LogP ≤ 59.04
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze carbanide;dichlorozirconium(2+);[(1S)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]-[(4R)-2,3,4,5,6,7-hexahydro-1H-inden-4-yl]-dimethylsilane with MolForge

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

Launch Full Analysis

Related Compounds

borinan-1-yl-bis[(1S)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]-methylsilane
CID 91568568
N-[butyl-(2,3,4,5,6,7-hexahydro-1H-inden-1-yl)-methylsilyl]-2-methylpropan-2-amine
CID 160555782
1-cyclopropylidene-2-methylcyclopentane
CID 154517244
1-cyclopentylidene-2-hydroperoxycyclopentane
CID 14592797
6-methylbicyclo[3.1.1]hept-1(6)-ene
CID 143372667
8-fluoro-4-methyl-1,2,3,3a,4,5,6,7-octahydro-s-indacene
CID 174163203
1-(2-methylpropyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline
CID 82075897
8-methyl-2,3,5,6,7,8-hexahydro-1H-azulen-4-one
CID 130028950
5-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
CID 12612699
1-prop-2-enyl-1,2,3,4,5,6,7,8-octahydronaphthalene
CID 10773625
dimethyl-(4,5,6,7-tetrahydro-3aH-inden-1-yl)-(4,5,6,7-tetrahydro-3H-inden-1-yl)silane
CID 20749060
ethane;(5S)-6-methylbicyclo[3.1.0]hex-1(6)-ene
CID 142063012

Frequently Asked Questions

What is the IUPAC name of carbanide;dichlorozirconium(2+);[(1S)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]-[(4R)-2,3,4,5,6,7-hexahydro-1H-inden-4-yl]-dimethylsilane?
The IUPAC name of carbanide;dichlorozirconium(2+);[(1S)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]-[(4R)-2,3,4,5,6,7-hexahydro-1H-inden-4-yl]-dimethylsilane (CID 157302065) is carbanide;dichlorozirconium(2+);[(1S)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]-[(4R)-2,3,4,5,6,7-hexahydro-1H-inden-4-yl]-dimethylsilane.
What is the SMILES notation for carbanide;dichlorozirconium(2+);[(1S)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]-[(4R)-2,3,4,5,6,7-hexahydro-1H-inden-4-yl]-dimethylsilane?
The canonical SMILES for carbanide;dichlorozirconium(2+);[(1S)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]-[(4R)-2,3,4,5,6,7-hexahydro-1H-inden-4-yl]-dimethylsilane is C[Si](C)([C@@H]1CCCC2=C1CCC2)[C@H]1CCC2=C1CCCC2.Cl[Zr+2]Cl.[CH3-].[CH3-].
What is the InChIKey of carbanide;dichlorozirconium(2+);[(1S)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]-[(4R)-2,3,4,5,6,7-hexahydro-1H-inden-4-yl]-dimethylsilane?
The InChIKey is BCADADBBPQZKGH-MYMHIIFBSA-L. The full InChI is InChI=1S/C20H32Si.2CH3.2ClH.Zr/c1-21(2,19-12-6-9-15-8-5-11-18(15)19)20-14-13-16-7-3-4-10-17(16)20;;;;;/h19-20H,3-14H2,1-2H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2/t19-,20+;;;;;/m1...../s1.
What are the key properties of carbanide;dichlorozirconium(2+);[(1S)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]-[(4R)-2,3,4,5,6,7-hexahydro-1H-inden-4-yl]-dimethylsilane?
carbanide;dichlorozirconium(2+);[(1S)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]-[(4R)-2,3,4,5,6,7-hexahydro-1H-inden-4-yl]-dimethylsilane has a molecular weight of 492.76 g/mol, XLogP of 9.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dichlorozirconium(2+);[(1S)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]-[(4R)-2,3,4,5,6,7-hexahydro-1H-inden-4-yl]-dimethylsilane is sourced from PubChem (CID 157302065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).