3-ethyl-2-ethyliminohexan-3-ol;lanthanum

C10H21LaNO — CID 153491876

IUPAC3-ethyl-2-ethyliminohexan-3-ol;lanthanum
SMILESCCCC(O)(CC)/C(C)=N/CC.[La]
InChIInChI=1S/C10H21NO.La/c1-5-8-10(12,6-2)9(4)11-7-3;/h12H,5-8H2,1-4H3;/b11-9+;
InChIKeyJBGDIGRYJGMXPY-LBEJWNQZSA-N
MW310.19 g/mol
LogP2.41
Rot. Bonds5

About 3-ethyl-2-ethyliminohexan-3-ol;lanthanum

3-ethyl-2-ethyliminohexan-3-ol;lanthanum (PubChem CID 153491876) has the molecular formula C10H21LaNO and a molecular weight of 310.19 g/mol. Its IUPAC name is 3-ethyl-2-ethyliminohexan-3-ol;lanthanum.

Molecular Properties

Compound Name3-ethyl-2-ethyliminohexan-3-ol;lanthanum
PubChem CID153491876
Molecular FormulaC10H21LaNO
Molecular Weight310.19 g/mol
Exact Mass310.07
IUPAC Name3-ethyl-2-ethyliminohexan-3-ol;lanthanum
SMILESCCCC(O)(CC)/C(C)=N/CC.[La]
InChIInChI=1S/C10H21NO.La/c1-5-8-10(12,6-2)9(4)11-7-3;/h12H,5-8H2,1-4H3;/b11-9+;
InChIKeyJBGDIGRYJGMXPY-LBEJWNQZSA-N
XLogP2.41
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;lanthanum
CID 153491751
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;thulium
CID 153491901
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;promethium
CID 153491888
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;neodymium
CID 153491806
3-ethyl-2-ethyliminopentan-3-ol;europium
CID 153491784
2-ethylimino-3-methylhexan-3-ol;lanthanum
CID 153491627
3-ethyl-2-propan-2-yliminohexan-3-ol;europium
CID 153491758
erbium;3-ethyl-2-propan-2-yliminohexan-3-ol
CID 153491711
cerium;4-(C,N-dimethylcarbonimidoyl)heptan-4-ol
CID 153491929
4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;ytterbium
CID 153491793
3-ethyl-2-ethylimino-4-methylpentan-3-ol;lanthanum
CID 153491621
4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;2-ethylimino-3-propan-2-ylhexan-3-ol;4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;lutetium;2-methyl-3-(C-methyl-N-propan-2-ylcarbonimidoyl)hexan-3-ol;4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol
CID 160728576

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-ethyliminohexan-3-ol;lanthanum?
The IUPAC name of 3-ethyl-2-ethyliminohexan-3-ol;lanthanum (CID 153491876) is 3-ethyl-2-ethyliminohexan-3-ol;lanthanum.
What is the SMILES notation for 3-ethyl-2-ethyliminohexan-3-ol;lanthanum?
The canonical SMILES for 3-ethyl-2-ethyliminohexan-3-ol;lanthanum is CCCC(O)(CC)/C(C)=N/CC.[La].
What is the InChIKey of 3-ethyl-2-ethyliminohexan-3-ol;lanthanum?
The InChIKey is JBGDIGRYJGMXPY-LBEJWNQZSA-N. The full InChI is InChI=1S/C10H21NO.La/c1-5-8-10(12,6-2)9(4)11-7-3;/h12H,5-8H2,1-4H3;/b11-9+;.
What are the key properties of 3-ethyl-2-ethyliminohexan-3-ol;lanthanum?
3-ethyl-2-ethyliminohexan-3-ol;lanthanum has a molecular weight of 310.19 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-ethyliminohexan-3-ol;lanthanum is sourced from PubChem (CID 153491876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).