erbium;3-ethyl-2-propan-2-yliminohexan-3-ol

C11H23ErNO — CID 153491711

IUPACerbium;3-ethyl-2-propan-2-yliminohexan-3-ol
SMILESCCCC(O)(CC)/C(C)=N/C(C)C.[Er]
InChIInChI=1S/C11H23NO.Er/c1-6-8-11(13,7-2)10(5)12-9(3)4;/h9,13H,6-8H2,1-5H3;/b12-10+;
InChIKeyKWBUOQVJUMOWQS-VHPXAQPISA-N
MW352.57 g/mol
LogP2.80
Rot. Bonds5

About erbium;3-ethyl-2-propan-2-yliminohexan-3-ol

erbium;3-ethyl-2-propan-2-yliminohexan-3-ol (PubChem CID 153491711) has the molecular formula C11H23ErNO and a molecular weight of 352.57 g/mol. Its IUPAC name is erbium;3-ethyl-2-propan-2-yliminohexan-3-ol.

Molecular Properties

Compound Nameerbium;3-ethyl-2-propan-2-yliminohexan-3-ol
PubChem CID153491711
Molecular FormulaC11H23ErNO
Molecular Weight352.57 g/mol
Exact Mass351.11
IUPAC Nameerbium;3-ethyl-2-propan-2-yliminohexan-3-ol
SMILESCCCC(O)(CC)/C(C)=N/C(C)C.[Er]
InChIInChI=1S/C11H23NO.Er/c1-6-8-11(13,7-2)10(5)12-9(3)4;/h9,13H,6-8H2,1-5H3;/b12-10+;
InChIKeyKWBUOQVJUMOWQS-VHPXAQPISA-N
XLogP2.80
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.57
LogP ≤ 52.80
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

3-ethyl-2-propan-2-yliminohexan-3-ol;europium
CID 153491758
4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol;promethium
CID 153491768
3-methyl-2-propan-2-yliminohexan-3-ol;scandium
CID 153491828
3-ethyl-2-ethyliminohexan-3-ol;lanthanum
CID 153491876
3-ethyl-2-methyl-4-propan-2-yliminopentan-3-ol;promethium
CID 153491674
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
3-methyl-N-propan-2-yl-3-propoxyhexan-2-imine
CID 153491631
(2R)-2-ethyl-2-hydroxypentanoic acid
CID 10725485
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
2-ethyl-2-hydroxypentanoate
CID 18183072
cerium;4-(C,N-dimethylcarbonimidoyl)heptan-4-ol
CID 153491929
4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;ytterbium
CID 153491793

Frequently Asked Questions

What is the IUPAC name of erbium;3-ethyl-2-propan-2-yliminohexan-3-ol?
The IUPAC name of erbium;3-ethyl-2-propan-2-yliminohexan-3-ol (CID 153491711) is erbium;3-ethyl-2-propan-2-yliminohexan-3-ol.
What is the SMILES notation for erbium;3-ethyl-2-propan-2-yliminohexan-3-ol?
The canonical SMILES for erbium;3-ethyl-2-propan-2-yliminohexan-3-ol is CCCC(O)(CC)/C(C)=N/C(C)C.[Er].
What is the InChIKey of erbium;3-ethyl-2-propan-2-yliminohexan-3-ol?
The InChIKey is KWBUOQVJUMOWQS-VHPXAQPISA-N. The full InChI is InChI=1S/C11H23NO.Er/c1-6-8-11(13,7-2)10(5)12-9(3)4;/h9,13H,6-8H2,1-5H3;/b12-10+;.
What are the key properties of erbium;3-ethyl-2-propan-2-yliminohexan-3-ol?
erbium;3-ethyl-2-propan-2-yliminohexan-3-ol has a molecular weight of 352.57 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for erbium;3-ethyl-2-propan-2-yliminohexan-3-ol is sourced from PubChem (CID 153491711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).