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

C29H56Cl2SiZr — CID 162289980

IUPACcarbanide;dichlorozirconium(2+);dimethyl-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[3-(2-methylpentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane
SMILESCCCC(C)CC1CC([Si](C)(C)C2CC(C)C3CCCCC32)C2CCCCC12.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C27H50Si.2CH3.2ClH.Zr/c1-6-11-19(2)16-21-18-27(25-15-10-8-13-23(21)25)28(4,5)26-17-20(3)22-12-7-9-14-24(22)26;;;;;/h19-27H,6-18H2,1-5H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyZDRRTTNOBDXIKN-UHFFFAOYSA-L
MW594.98 g/mol
LogP11.21
Rot. Bonds6

About carbanide;dichlorozirconium(2+);dimethyl-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[3-(2-methylpentyl)-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-methylpentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane (PubChem CID 162289980) has the molecular formula C29H56Cl2SiZr and a molecular weight of 594.98 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-methylpentyl)-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-methylpentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane
PubChem CID162289980
Molecular FormulaC29H56Cl2SiZr
Molecular Weight594.98 g/mol
Exact Mass592.26
IUPAC Namecarbanide;dichlorozirconium(2+);dimethyl-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[3-(2-methylpentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane
SMILESCCCC(C)CC1CC([Si](C)(C)C2CC(C)C3CCCCC32)C2CCCCC12.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C27H50Si.2CH3.2ClH.Zr/c1-6-11-19(2)16-21-18-27(25-15-10-8-13-23(21)25)28(4,5)26-17-20(3)22-12-7-9-14-24(22)26;;;;;/h19-27H,6-18H2,1-5H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyZDRRTTNOBDXIKN-UHFFFAOYSA-L
XLogP11.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.98
LogP ≤ 511.21
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-methylpentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane with MolForge

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Related Compounds

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
carbanide;pentakis(dichlorozirconium(2+));dimethyl-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[3-(2-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;dimethyl-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[3-(2-methylpentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;dimethyl-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[3-(2-propylpentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;dimethyl-(3-pentyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[3-(2-phenylpropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;(3-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethyl-[3-(2-propylpentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane
CID 162289128
(3-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane
CID 162279975
1-ethyl-2-[2-(2-methylpentyl)cyclopropyl]cyclopropane
CID 123748919
6-ethyl-4-methyl-1-(2-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552782
[2-(2-methylpentyl)cyclohexyl]methanamine
CID 81009598
1,3-bis(2-methylpentyl)cyclohexane;methane
CID 173426658
1-(2,4-dimethylheptyl)-2-methylcyclopropane
CID 123484269
2-methyl-6-(2-methylpentyl)bicyclo[2.2.0]hexane
CID 123354520
N-methyl-2-(2-methylpentyl)cyclohexan-1-amine
CID 62267127
1-(6-ethyl-2,5,7-trimethyldecyl)-2-methylcyclopropane
CID 123235703
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

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-methylpentyl)-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-methylpentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane (CID 162289980) is carbanide;dichlorozirconium(2+);dimethyl-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[3-(2-methylpentyl)-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-methylpentyl)-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-methylpentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane is CCCC(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-methylpentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane?
The InChIKey is ZDRRTTNOBDXIKN-UHFFFAOYSA-L. The full InChI is InChI=1S/C27H50Si.2CH3.2ClH.Zr/c1-6-11-19(2)16-21-18-27(25-15-10-8-13-23(21)25)28(4,5)26-17-20(3)22-12-7-9-14-24(22)26;;;;;/h19-27H,6-18H2,1-5H3;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-methylpentyl)-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-methylpentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane has a molecular weight of 594.98 g/mol, XLogP of 11.21, 6 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-methylpentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane is sourced from PubChem (CID 162289980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).