ethanolate;hafnium;1H-inden-1-ide

C13H17HfO2-3 — CID 159970065

IUPACethanolate;hafnium;1H-inden-1-ide
SMILESCC[O-].CC[O-].[Hf].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.2C2H5O.Hf/c1-2-5-9-7-3-6-8(9)4-1;2*1-2-3;/h1-7H;2*2H2,1H3;/q3*-1;
InChIKeyCQZNIITTYFLQFX-UHFFFAOYSA-N
MW383.77 g/mol
LogP1.29
Rot. Bonds

About ethanolate;hafnium;1H-inden-1-ide

ethanolate;hafnium;1H-inden-1-ide (PubChem CID 159970065) has the molecular formula C13H17HfO2-3 and a molecular weight of 383.77 g/mol. Its IUPAC name is ethanolate;hafnium;1H-inden-1-ide.

Molecular Properties

Compound Nameethanolate;hafnium;1H-inden-1-ide
PubChem CID159970065
Molecular FormulaC13H17HfO2-3
Molecular Weight383.77 g/mol
Exact Mass385.07
IUPAC Nameethanolate;hafnium;1H-inden-1-ide
SMILESCC[O-].CC[O-].[Hf].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.2C2H5O.Hf/c1-2-5-9-7-3-6-8(9)4-1;2*1-2-3;/h1-7H;2*2H2,1H3;/q3*-1;
InChIKeyCQZNIITTYFLQFX-UHFFFAOYSA-N
XLogP1.29
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.77
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethanolate;hafnium;1H-inden-1-ide?
The IUPAC name of ethanolate;hafnium;1H-inden-1-ide (CID 159970065) is ethanolate;hafnium;1H-inden-1-ide.
What is the SMILES notation for ethanolate;hafnium;1H-inden-1-ide?
The canonical SMILES for ethanolate;hafnium;1H-inden-1-ide is CC[O-].CC[O-].[Hf].c1ccc2[cH-]ccc2c1.
What is the InChIKey of ethanolate;hafnium;1H-inden-1-ide?
The InChIKey is CQZNIITTYFLQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7.2C2H5O.Hf/c1-2-5-9-7-3-6-8(9)4-1;2*1-2-3;/h1-7H;2*2H2,1H3;/q3*-1;.
What are the key properties of ethanolate;hafnium;1H-inden-1-ide?
ethanolate;hafnium;1H-inden-1-ide has a molecular weight of 383.77 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanolate;hafnium;1H-inden-1-ide is sourced from PubChem (CID 159970065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).