dichlorozirconium(2+);1H-inden-1-ide;3H-inden-3-id-1-yl(trimethyl)silane

C21H22Cl2SiZr — CID 87558877

IUPACdichlorozirconium(2+);1H-inden-1-ide;3H-inden-3-id-1-yl(trimethyl)silane
SMILESC[Si](C)(C)c1c[cH-]c2ccccc12.Cl[Zr+2]Cl.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C12H15Si.C9H7.2ClH.Zr/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-2-5-9-7-3-6-8(9)4-1;;;/h4-9H,1-3H3;1-7H;2*1H;/q2*-1;;;+4/p-2
InChIKeyMKVVMJPUFCBDRI-UHFFFAOYSA-L
MW464.62 g/mol
LogP7.04
Rot. Bonds1

About dichlorozirconium(2+);1H-inden-1-ide;3H-inden-3-id-1-yl(trimethyl)silane

dichlorozirconium(2+);1H-inden-1-ide;3H-inden-3-id-1-yl(trimethyl)silane (PubChem CID 87558877) has the molecular formula C21H22Cl2SiZr and a molecular weight of 464.62 g/mol. Its IUPAC name is dichlorozirconium(2+);1H-inden-1-ide;3H-inden-3-id-1-yl(trimethyl)silane.

Molecular Properties

Compound Namedichlorozirconium(2+);1H-inden-1-ide;3H-inden-3-id-1-yl(trimethyl)silane
PubChem CID87558877
Molecular FormulaC21H22Cl2SiZr
Molecular Weight464.62 g/mol
Exact Mass461.99
IUPAC Namedichlorozirconium(2+);1H-inden-1-ide;3H-inden-3-id-1-yl(trimethyl)silane
SMILESC[Si](C)(C)c1c[cH-]c2ccccc12.Cl[Zr+2]Cl.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C12H15Si.C9H7.2ClH.Zr/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-2-5-9-7-3-6-8(9)4-1;;;/h4-9H,1-3H3;1-7H;2*1H;/q2*-1;;;+4/p-2
InChIKeyMKVVMJPUFCBDRI-UHFFFAOYSA-L
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.62
LogP ≤ 57.04
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'}

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Frequently Asked Questions

What is the IUPAC name of dichlorozirconium(2+);1H-inden-1-ide;3H-inden-3-id-1-yl(trimethyl)silane?
The IUPAC name of dichlorozirconium(2+);1H-inden-1-ide;3H-inden-3-id-1-yl(trimethyl)silane (CID 87558877) is dichlorozirconium(2+);1H-inden-1-ide;3H-inden-3-id-1-yl(trimethyl)silane.
What is the SMILES notation for dichlorozirconium(2+);1H-inden-1-ide;3H-inden-3-id-1-yl(trimethyl)silane?
The canonical SMILES for dichlorozirconium(2+);1H-inden-1-ide;3H-inden-3-id-1-yl(trimethyl)silane is C[Si](C)(C)c1c[cH-]c2ccccc12.Cl[Zr+2]Cl.c1ccc2[cH-]ccc2c1.
What is the InChIKey of dichlorozirconium(2+);1H-inden-1-ide;3H-inden-3-id-1-yl(trimethyl)silane?
The InChIKey is MKVVMJPUFCBDRI-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H15Si.C9H7.2ClH.Zr/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-2-5-9-7-3-6-8(9)4-1;;;/h4-9H,1-3H3;1-7H;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of dichlorozirconium(2+);1H-inden-1-ide;3H-inden-3-id-1-yl(trimethyl)silane?
dichlorozirconium(2+);1H-inden-1-ide;3H-inden-3-id-1-yl(trimethyl)silane has a molecular weight of 464.62 g/mol, XLogP of 7.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium(2+);1H-inden-1-ide;3H-inden-3-id-1-yl(trimethyl)silane is sourced from PubChem (CID 87558877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).