dichlorozirconium(2+);dimethyl-bis(2-methylinden-1-id-1-yl)silane

C22H22Cl2SiZr — CID 15390285

IUPACdichlorozirconium(2+);dimethyl-bis(2-methylinden-1-id-1-yl)silane
SMILESCc1cc2ccccc2[c-]1[Si](C)(C)[c-]1c(C)cc2ccccc21.Cl[Zr+2]Cl
InChIInChI=1S/C22H22Si.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;;;/h5-14H,1-4H3;2*1H;/q-2;;;+4/p-2
InChIKeyZIHMPZGMAWXTGN-UHFFFAOYSA-L
MW476.63 g/mol
LogP6.25
Rot. Bonds2

About dichlorozirconium(2+);dimethyl-bis(2-methylinden-1-id-1-yl)silane

dichlorozirconium(2+);dimethyl-bis(2-methylinden-1-id-1-yl)silane (PubChem CID 15390285) has the molecular formula C22H22Cl2SiZr and a molecular weight of 476.63 g/mol. Its IUPAC name is dichlorozirconium(2+);dimethyl-bis(2-methylinden-1-id-1-yl)silane.

Molecular Properties

Compound Namedichlorozirconium(2+);dimethyl-bis(2-methylinden-1-id-1-yl)silane
PubChem CID15390285
Molecular FormulaC22H22Cl2SiZr
Molecular Weight476.63 g/mol
Exact Mass473.99
IUPAC Namedichlorozirconium(2+);dimethyl-bis(2-methylinden-1-id-1-yl)silane
SMILESCc1cc2ccccc2[c-]1[Si](C)(C)[c-]1c(C)cc2ccccc21.Cl[Zr+2]Cl
InChIInChI=1S/C22H22Si.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;;;/h5-14H,1-4H3;2*1H;/q-2;;;+4/p-2
InChIKeyZIHMPZGMAWXTGN-UHFFFAOYSA-L
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.63
LogP ≤ 56.25
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 dichlorozirconium(2+);dimethyl-bis(2-methylinden-1-id-1-yl)silane?
The IUPAC name of dichlorozirconium(2+);dimethyl-bis(2-methylinden-1-id-1-yl)silane (CID 15390285) is dichlorozirconium(2+);dimethyl-bis(2-methylinden-1-id-1-yl)silane.
What is the SMILES notation for dichlorozirconium(2+);dimethyl-bis(2-methylinden-1-id-1-yl)silane?
The canonical SMILES for dichlorozirconium(2+);dimethyl-bis(2-methylinden-1-id-1-yl)silane is Cc1cc2ccccc2[c-]1[Si](C)(C)[c-]1c(C)cc2ccccc21.Cl[Zr+2]Cl.
What is the InChIKey of dichlorozirconium(2+);dimethyl-bis(2-methylinden-1-id-1-yl)silane?
The InChIKey is ZIHMPZGMAWXTGN-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H22Si.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;;;/h5-14H,1-4H3;2*1H;/q-2;;;+4/p-2.
What are the key properties of dichlorozirconium(2+);dimethyl-bis(2-methylinden-1-id-1-yl)silane?
dichlorozirconium(2+);dimethyl-bis(2-methylinden-1-id-1-yl)silane has a molecular weight of 476.63 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium(2+);dimethyl-bis(2-methylinden-1-id-1-yl)silane is sourced from PubChem (CID 15390285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).