dichlorozirconium;2,4-diethyl-1H-inden-1-ide

C13H15Cl2Zr- — CID 173263602

IUPACdichlorozirconium;2,4-diethyl-1H-inden-1-ide
SMILESCCc1cc2c(CC)cccc2[cH-]1.Cl[Zr]Cl
InChIInChI=1S/C13H15.2ClH.Zr/c1-3-10-8-12-7-5-6-11(4-2)13(12)9-10;;;/h5-9H,3-4H2,1-2H3;2*1H;/q-1;;;+2/p-2
InChIKeyPHKSIBWCWMHWDV-UHFFFAOYSA-L
MW333.39 g/mol
LogP5.06
Rot. Bonds2

About dichlorozirconium;2,4-diethyl-1H-inden-1-ide

dichlorozirconium;2,4-diethyl-1H-inden-1-ide (PubChem CID 173263602) has the molecular formula C13H15Cl2Zr- and a molecular weight of 333.39 g/mol. Its IUPAC name is dichlorozirconium;2,4-diethyl-1H-inden-1-ide.

Molecular Properties

Compound Namedichlorozirconium;2,4-diethyl-1H-inden-1-ide
PubChem CID173263602
Molecular FormulaC13H15Cl2Zr-
Molecular Weight333.39 g/mol
Exact Mass330.96
IUPAC Namedichlorozirconium;2,4-diethyl-1H-inden-1-ide
SMILESCCc1cc2c(CC)cccc2[cH-]1.Cl[Zr]Cl
InChIInChI=1S/C13H15.2ClH.Zr/c1-3-10-8-12-7-5-6-11(4-2)13(12)9-10;;;/h5-9H,3-4H2,1-2H3;2*1H;/q-1;;;+2/p-2
InChIKeyPHKSIBWCWMHWDV-UHFFFAOYSA-L
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.39
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2,4-diethyl-1H-inden-1-ide;hafnium;dichloride
CID 159398719
CID 87823696
CID 87823696
dichlorozirconium;2-ethyl-4-phenyl-1H-inden-1-ide
CID 173177411
4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide;dichlorozirconium
CID 174390644
CID 173192432
CID 173192432
4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide;dichlorozirconium
CID 152758320
2-ethyl-4-methyl-1H-inden-1-ide;zirconium(3+);dichloride
CID 174411637
CID 175828995
CID 175828995
CID 173337910
CID 173337910
CID 173073018
CID 173073018
4-[3,5-bis(trifluoromethyl)phenyl]-2,5-diethyl-1H-inden-1-ide;dichlorozirconium
CID 87884053
4-ethyl-2-methyl-1H-inden-1-ide;tetramethylsilane;zirconium
CID 174376953

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;2,4-diethyl-1H-inden-1-ide?
The IUPAC name of dichlorozirconium;2,4-diethyl-1H-inden-1-ide (CID 173263602) is dichlorozirconium;2,4-diethyl-1H-inden-1-ide.
What is the SMILES notation for dichlorozirconium;2,4-diethyl-1H-inden-1-ide?
The canonical SMILES for dichlorozirconium;2,4-diethyl-1H-inden-1-ide is CCc1cc2c(CC)cccc2[cH-]1.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;2,4-diethyl-1H-inden-1-ide?
The InChIKey is PHKSIBWCWMHWDV-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H15.2ClH.Zr/c1-3-10-8-12-7-5-6-11(4-2)13(12)9-10;;;/h5-9H,3-4H2,1-2H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorozirconium;2,4-diethyl-1H-inden-1-ide?
dichlorozirconium;2,4-diethyl-1H-inden-1-ide has a molecular weight of 333.39 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;2,4-diethyl-1H-inden-1-ide is sourced from PubChem (CID 173263602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).