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

C30H58Cl2SiZr — CID 162290150

IUPACcarbanide;dichlorozirconium(2+);dimethyl-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[3-(2-methylhexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane
SMILESCCCCC(C)CC1CC([Si](C)(C)C2CC(C)C3CCCCC32)C2CCCCC12.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C28H52Si.2CH3.2ClH.Zr/c1-6-7-12-20(2)17-22-19-28(26-16-11-9-14-24(22)26)29(4,5)27-18-21(3)23-13-8-10-15-25(23)27;;;;;/h20-28H,6-19H2,1-5H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyTXGSHYBAJRLTGE-UHFFFAOYSA-L
MW609.01 g/mol
LogP11.60
Rot. Bonds7

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

carbanide;dichlorozirconium(2+);dimethyl-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[3-(2-methylhexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane (PubChem CID 162290150) has the molecular formula C30H58Cl2SiZr and a molecular weight of 609.01 g/mol. Its IUPAC name is carbanide;dichlorozirconium(2+);dimethyl-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[3-(2-methylhexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane.

Molecular Properties

Compound Namecarbanide;dichlorozirconium(2+);dimethyl-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[3-(2-methylhexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane
PubChem CID162290150
Molecular FormulaC30H58Cl2SiZr
Molecular Weight609.01 g/mol
Exact Mass606.27
IUPAC Namecarbanide;dichlorozirconium(2+);dimethyl-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[3-(2-methylhexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane
SMILESCCCCC(C)CC1CC([Si](C)(C)C2CC(C)C3CCCCC32)C2CCCCC12.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C28H52Si.2CH3.2ClH.Zr/c1-6-7-12-20(2)17-22-19-28(26-16-11-9-14-24(22)26)29(4,5)27-18-21(3)23-13-8-10-15-25(23)27;;;;;/h20-28H,6-19H2,1-5H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyTXGSHYBAJRLTGE-UHFFFAOYSA-L
XLogP11.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.01
LogP ≤ 511.60
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 carbanide;dichlorozirconium(2+);dimethyl-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[3-(2-methylhexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane with MolForge

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Related Compounds

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CID 102600865
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CID 155885024
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl(trimethyl)silane
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CID 134992328
CID 134992328
bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclohexyl-methylsilane
CID 20576732
bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
CID 20576733
dimethyl-bis(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
CID 53631238
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ylmethyl-dimethyl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;3,3-dimethylpentane;ethane
CID 53794306
dimethyl-bis[(2R)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane
CID 54006672
dimethyl-bis(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;2,2-dimethylpropane;ethane
CID 54036137
dimethyl-bis(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
CID 54036138

Frequently Asked Questions

What is the IUPAC name of carbanide;dichlorozirconium(2+);dimethyl-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[3-(2-methylhexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane?
The IUPAC name of carbanide;dichlorozirconium(2+);dimethyl-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[3-(2-methylhexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane (CID 162290150) is carbanide;dichlorozirconium(2+);dimethyl-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[3-(2-methylhexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane.
What is the SMILES notation for carbanide;dichlorozirconium(2+);dimethyl-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[3-(2-methylhexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane?
The canonical SMILES for carbanide;dichlorozirconium(2+);dimethyl-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[3-(2-methylhexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane is CCCCC(C)CC1CC([Si](C)(C)C2CC(C)C3CCCCC32)C2CCCCC12.Cl[Zr+2]Cl.[CH3-].[CH3-].
What is the InChIKey of carbanide;dichlorozirconium(2+);dimethyl-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[3-(2-methylhexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane?
The InChIKey is TXGSHYBAJRLTGE-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H52Si.2CH3.2ClH.Zr/c1-6-7-12-20(2)17-22-19-28(26-16-11-9-14-24(22)26)29(4,5)27-18-21(3)23-13-8-10-15-25(23)27;;;;;/h20-28H,6-19H2,1-5H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2.
What are the key properties of carbanide;dichlorozirconium(2+);dimethyl-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[3-(2-methylhexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane?
carbanide;dichlorozirconium(2+);dimethyl-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[3-(2-methylhexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane has a molecular weight of 609.01 g/mol, XLogP of 11.60, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dichlorozirconium(2+);dimethyl-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[3-(2-methylhexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane is sourced from PubChem (CID 162290150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).