ethanol;hafnium;bis(2-methanidylpropan-2-ylbenzene)

C24H38HfO2-2 — CID 18688502

IUPACethanol;hafnium;bis(2-methanidylpropan-2-ylbenzene)
SMILESCCO.CCO.[CH2-]C(C)(C)c1ccccc1.[CH2-]C(C)(C)c1ccccc1.[Hf]
InChIInChI=1S/2C10H13.2C2H6O.Hf/c2*1-10(2,3)9-7-5-4-6-8-9;2*1-2-3;/h2*4-8H,1H2,2-3H3;2*3H,2H2,1H3;/q2*-1;;;
InChIKeyWYLZWPNXOGXMHJ-UHFFFAOYSA-N
MW537.06 g/mol
LogP5.59
Rot. Bonds2

About ethanol;hafnium;bis(2-methanidylpropan-2-ylbenzene)

ethanol;hafnium;bis(2-methanidylpropan-2-ylbenzene) (PubChem CID 18688502) has the molecular formula C24H38HfO2-2 and a molecular weight of 537.06 g/mol. Its IUPAC name is ethanol;hafnium;bis(2-methanidylpropan-2-ylbenzene).

Molecular Properties

Compound Nameethanol;hafnium;bis(2-methanidylpropan-2-ylbenzene)
PubChem CID18688502
Molecular FormulaC24H38HfO2-2
Molecular Weight537.06 g/mol
Exact Mass538.23
IUPAC Nameethanol;hafnium;bis(2-methanidylpropan-2-ylbenzene)
SMILESCCO.CCO.[CH2-]C(C)(C)c1ccccc1.[CH2-]C(C)(C)c1ccccc1.[Hf]
InChIInChI=1S/2C10H13.2C2H6O.Hf/c2*1-10(2,3)9-7-5-4-6-8-9;2*1-2-3;/h2*4-8H,1H2,2-3H3;2*3H,2H2,1H3;/q2*-1;;;
InChIKeyWYLZWPNXOGXMHJ-UHFFFAOYSA-N
XLogP5.59
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.06
LogP ≤ 55.59
H-Bond Donors ≤ 52
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 ethanol;hafnium;bis(2-methanidylpropan-2-ylbenzene)?
The IUPAC name of ethanol;hafnium;bis(2-methanidylpropan-2-ylbenzene) (CID 18688502) is ethanol;hafnium;bis(2-methanidylpropan-2-ylbenzene).
What is the SMILES notation for ethanol;hafnium;bis(2-methanidylpropan-2-ylbenzene)?
The canonical SMILES for ethanol;hafnium;bis(2-methanidylpropan-2-ylbenzene) is CCO.CCO.[CH2-]C(C)(C)c1ccccc1.[CH2-]C(C)(C)c1ccccc1.[Hf].
What is the InChIKey of ethanol;hafnium;bis(2-methanidylpropan-2-ylbenzene)?
The InChIKey is WYLZWPNXOGXMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H13.2C2H6O.Hf/c2*1-10(2,3)9-7-5-4-6-8-9;2*1-2-3;/h2*4-8H,1H2,2-3H3;2*3H,2H2,1H3;/q2*-1;;;.
What are the key properties of ethanol;hafnium;bis(2-methanidylpropan-2-ylbenzene)?
ethanol;hafnium;bis(2-methanidylpropan-2-ylbenzene) has a molecular weight of 537.06 g/mol, XLogP of 5.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;hafnium;bis(2-methanidylpropan-2-ylbenzene) is sourced from PubChem (CID 18688502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).