2-ethylimino-3-methylhexan-3-ol;lanthanum

C9H19LaNO — CID 153491627

IUPAC2-ethylimino-3-methylhexan-3-ol;lanthanum
SMILESCCCC(C)(O)/C(C)=N/CC.[La]
InChIInChI=1S/C9H19NO.La/c1-5-7-9(4,11)8(3)10-6-2;/h11H,5-7H2,1-4H3;/b10-8+;
InChIKeyBUAKUUZMANEJJO-VRTOBVRTSA-N
MW296.16 g/mol
LogP2.02
Rot. Bonds4

About 2-ethylimino-3-methylhexan-3-ol;lanthanum

2-ethylimino-3-methylhexan-3-ol;lanthanum (PubChem CID 153491627) has the molecular formula C9H19LaNO and a molecular weight of 296.16 g/mol. Its IUPAC name is 2-ethylimino-3-methylhexan-3-ol;lanthanum.

Molecular Properties

Compound Name2-ethylimino-3-methylhexan-3-ol;lanthanum
PubChem CID153491627
Molecular FormulaC9H19LaNO
Molecular Weight296.16 g/mol
Exact Mass296.05
IUPAC Name2-ethylimino-3-methylhexan-3-ol;lanthanum
SMILESCCCC(C)(O)/C(C)=N/CC.[La]
InChIInChI=1S/C9H19NO.La/c1-5-7-9(4,11)8(3)10-6-2;/h11H,5-7H2,1-4H3;/b10-8+;
InChIKeyBUAKUUZMANEJJO-VRTOBVRTSA-N
XLogP2.02
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 52.02
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
3-ethyl-2-ethyliminohexan-3-ol;lanthanum
CID 153491876
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;promethium
CID 153491888
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;thulium
CID 153491901
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;neodymium
CID 153491806
3-methyl-2-propan-2-yliminohexan-3-ol;scandium
CID 153491828
4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;2-ethylimino-3-methylhexan-3-ol;2-ethylimino-3-propan-2-ylhexan-3-ol;4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;3-ethyl-2-methyl-4-propan-2-yliminopentan-3-ol;3-methyl-2-methyliminohexan-3-ol;2-methyl-3-(C-methyl-N-propan-2-ylcarbonimidoyl)hexan-3-ol;4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol;3-methyl-2-propan-2-yliminohexan-3-ol;decakis(yttrium)
CID 162008239
3-ethyl-2-ethyliminopentan-3-ol;europium
CID 153491784
N-ethyl-4,4,5,5-tetramethyloctan-2-imine
CID 91192770
3-ethyl-2-ethylimino-4-methylpentan-3-ol;lanthanum
CID 153491621
N-ethyl-3-methyl-3-propoxypentan-2-imine
CID 153491896
N-ethyl-3-methoxy-3-methylpentan-2-imine
CID 146600156

Frequently Asked Questions

What is the IUPAC name of 2-ethylimino-3-methylhexan-3-ol;lanthanum?
The IUPAC name of 2-ethylimino-3-methylhexan-3-ol;lanthanum (CID 153491627) is 2-ethylimino-3-methylhexan-3-ol;lanthanum.
What is the SMILES notation for 2-ethylimino-3-methylhexan-3-ol;lanthanum?
The canonical SMILES for 2-ethylimino-3-methylhexan-3-ol;lanthanum is CCCC(C)(O)/C(C)=N/CC.[La].
What is the InChIKey of 2-ethylimino-3-methylhexan-3-ol;lanthanum?
The InChIKey is BUAKUUZMANEJJO-VRTOBVRTSA-N. The full InChI is InChI=1S/C9H19NO.La/c1-5-7-9(4,11)8(3)10-6-2;/h11H,5-7H2,1-4H3;/b10-8+;.
What are the key properties of 2-ethylimino-3-methylhexan-3-ol;lanthanum?
2-ethylimino-3-methylhexan-3-ol;lanthanum has a molecular weight of 296.16 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylimino-3-methylhexan-3-ol;lanthanum is sourced from PubChem (CID 153491627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).