1-methoxypentan-3-imine;tris(yttrium)

C6H12NOY3- — CID 58069452

IUPAC1-methoxypentan-3-imine;tris(yttrium)
SMILES[H]/N=C(/C[CH2-])CCOC.[Y].[Y].[Y]
InChIInChI=1S/C6H12NO.3Y/c1-3-6(7)4-5-8-2;;;/h7H,1,3-5H2,2H3;;;/q-1;;;/b7-6-;;;
InChIKeyCZXOOHRNOXKFBI-YYFHNNNUSA-N
MW380.89 g/mol
LogP1.26
Rot. Bonds4

About 1-methoxypentan-3-imine;tris(yttrium)

1-methoxypentan-3-imine;tris(yttrium) (PubChem CID 58069452) has the molecular formula C6H12NOY3- and a molecular weight of 380.89 g/mol. Its IUPAC name is 1-methoxypentan-3-imine;tris(yttrium).

Molecular Properties

Compound Name1-methoxypentan-3-imine;tris(yttrium)
PubChem CID58069452
Molecular FormulaC6H12NOY3-
Molecular Weight380.89 g/mol
Exact Mass380.81
IUPAC Name1-methoxypentan-3-imine;tris(yttrium)
SMILES[H]/N=C(/C[CH2-])CCOC.[Y].[Y].[Y]
InChIInChI=1S/C6H12NO.3Y/c1-3-6(7)4-5-8-2;;;/h7H,1,3-5H2,2H3;;;/q-1;;;/b7-6-;;;
InChIKeyCZXOOHRNOXKFBI-YYFHNNNUSA-N
XLogP1.26
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.89
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxypentan-3-imine;tris(yttrium)?
The IUPAC name of 1-methoxypentan-3-imine;tris(yttrium) (CID 58069452) is 1-methoxypentan-3-imine;tris(yttrium).
What is the SMILES notation for 1-methoxypentan-3-imine;tris(yttrium)?
The canonical SMILES for 1-methoxypentan-3-imine;tris(yttrium) is [H]/N=C(/C[CH2-])CCOC.[Y].[Y].[Y].
What is the InChIKey of 1-methoxypentan-3-imine;tris(yttrium)?
The InChIKey is CZXOOHRNOXKFBI-YYFHNNNUSA-N. The full InChI is InChI=1S/C6H12NO.3Y/c1-3-6(7)4-5-8-2;;;/h7H,1,3-5H2,2H3;;;/q-1;;;/b7-6-;;;.
What are the key properties of 1-methoxypentan-3-imine;tris(yttrium)?
1-methoxypentan-3-imine;tris(yttrium) has a molecular weight of 380.89 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypentan-3-imine;tris(yttrium) is sourced from PubChem (CID 58069452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).