ethanol;lanthanum;2-methylpropane

C6H15LaO- — CID 87733102

IUPACethanol;lanthanum;2-methylpropane
SMILESCCO.C[C-](C)C.[La]
InChIInChI=1S/C4H9.C2H6O.La/c1-4(2)3;1-2-3;/h1-3H3;3H,2H2,1H3;/q-1;;
InChIKeyVEHXIDFDMVWLMS-UHFFFAOYSA-N
MW242.09 g/mol
LogP1.62
Rot. Bonds

About ethanol;lanthanum;2-methylpropane

ethanol;lanthanum;2-methylpropane (PubChem CID 87733102) has the molecular formula C6H15LaO- and a molecular weight of 242.09 g/mol. Its IUPAC name is ethanol;lanthanum;2-methylpropane.

Molecular Properties

Compound Nameethanol;lanthanum;2-methylpropane
PubChem CID87733102
Molecular FormulaC6H15LaO-
Molecular Weight242.09 g/mol
Exact Mass242.02
IUPAC Nameethanol;lanthanum;2-methylpropane
SMILESCCO.C[C-](C)C.[La]
InChIInChI=1S/C4H9.C2H6O.La/c1-4(2)3;1-2-3;/h1-3H3;3H,2H2,1H3;/q-1;;
InChIKeyVEHXIDFDMVWLMS-UHFFFAOYSA-N
XLogP1.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.09
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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;lanthanum;2-methylpropane?
The IUPAC name of ethanol;lanthanum;2-methylpropane (CID 87733102) is ethanol;lanthanum;2-methylpropane.
What is the SMILES notation for ethanol;lanthanum;2-methylpropane?
The canonical SMILES for ethanol;lanthanum;2-methylpropane is CCO.C[C-](C)C.[La].
What is the InChIKey of ethanol;lanthanum;2-methylpropane?
The InChIKey is VEHXIDFDMVWLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.C2H6O.La/c1-4(2)3;1-2-3;/h1-3H3;3H,2H2,1H3;/q-1;;.
What are the key properties of ethanol;lanthanum;2-methylpropane?
ethanol;lanthanum;2-methylpropane has a molecular weight of 242.09 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;lanthanum;2-methylpropane is sourced from PubChem (CID 87733102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).