carbanide;dichlorozirconium(2+);dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane

C24H38Cl2SiZr — CID 162298480

IUPACcarbanide;dichlorozirconium(2+);dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
SMILESCC1CC2C=CC=CC2C1[Si](C)(C)C1C(C)CC2C=CC=CC21.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C22H32Si.2CH3.2ClH.Zr/c1-15-13-17-9-5-7-11-19(17)21(15)23(3,4)22-16(2)14-18-10-6-8-12-20(18)22;;;;;/h5-12,15-22H,13-14H2,1-4H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyWXZDWYPZAFCARQ-UHFFFAOYSA-L
MW516.78 g/mol
LogP8.51
Rot. Bonds2

About carbanide;dichlorozirconium(2+);dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane

carbanide;dichlorozirconium(2+);dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane (PubChem CID 162298480) has the molecular formula C24H38Cl2SiZr and a molecular weight of 516.78 g/mol. Its IUPAC name is carbanide;dichlorozirconium(2+);dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane.

Molecular Properties

Compound Namecarbanide;dichlorozirconium(2+);dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
PubChem CID162298480
Molecular FormulaC24H38Cl2SiZr
Molecular Weight516.78 g/mol
Exact Mass514.12
IUPAC Namecarbanide;dichlorozirconium(2+);dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
SMILESCC1CC2C=CC=CC2C1[Si](C)(C)C1C(C)CC2C=CC=CC21.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C22H32Si.2CH3.2ClH.Zr/c1-15-13-17-9-5-7-11-19(17)21(15)23(3,4)22-16(2)14-18-10-6-8-12-20(18)22;;;;;/h5-12,15-22H,13-14H2,1-4H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyWXZDWYPZAFCARQ-UHFFFAOYSA-L
XLogP8.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.78
LogP ≤ 58.51
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'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;dichlorozirconium(2+);dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane?
The IUPAC name of carbanide;dichlorozirconium(2+);dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane (CID 162298480) is carbanide;dichlorozirconium(2+);dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane.
What is the SMILES notation for carbanide;dichlorozirconium(2+);dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane?
The canonical SMILES for carbanide;dichlorozirconium(2+);dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane is CC1CC2C=CC=CC2C1[Si](C)(C)C1C(C)CC2C=CC=CC21.Cl[Zr+2]Cl.[CH3-].[CH3-].
What is the InChIKey of carbanide;dichlorozirconium(2+);dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane?
The InChIKey is WXZDWYPZAFCARQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H32Si.2CH3.2ClH.Zr/c1-15-13-17-9-5-7-11-19(17)21(15)23(3,4)22-16(2)14-18-10-6-8-12-20(18)22;;;;;/h5-12,15-22H,13-14H2,1-4H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2.
What are the key properties of carbanide;dichlorozirconium(2+);dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane?
carbanide;dichlorozirconium(2+);dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane has a molecular weight of 516.78 g/mol, XLogP of 8.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dichlorozirconium(2+);dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane is sourced from PubChem (CID 162298480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).