3-ethyl-2-ethylimino-4-methylpentan-3-ol;lanthanum

C10H21LaNO — CID 153491621

IUPAC3-ethyl-2-ethylimino-4-methylpentan-3-ol;lanthanum
SMILESCC/N=C(\C)C(O)(CC)C(C)C.[La]
InChIInChI=1S/C10H21NO.La/c1-6-10(12,8(3)4)9(5)11-7-2;/h8,12H,6-7H2,1-5H3;/b11-9+;
InChIKeyMDGRUNJBPKLFQW-LBEJWNQZSA-N
MW310.19 g/mol
LogP2.26
Rot. Bonds4

About 3-ethyl-2-ethylimino-4-methylpentan-3-ol;lanthanum

3-ethyl-2-ethylimino-4-methylpentan-3-ol;lanthanum (PubChem CID 153491621) has the molecular formula C10H21LaNO and a molecular weight of 310.19 g/mol. Its IUPAC name is 3-ethyl-2-ethylimino-4-methylpentan-3-ol;lanthanum.

Molecular Properties

Compound Name3-ethyl-2-ethylimino-4-methylpentan-3-ol;lanthanum
PubChem CID153491621
Molecular FormulaC10H21LaNO
Molecular Weight310.19 g/mol
Exact Mass310.07
IUPAC Name3-ethyl-2-ethylimino-4-methylpentan-3-ol;lanthanum
SMILESCC/N=C(\C)C(O)(CC)C(C)C.[La]
InChIInChI=1S/C10H21NO.La/c1-6-10(12,8(3)4)9(5)11-7-2;/h8,12H,6-7H2,1-5H3;/b11-9+;
InChIKeyMDGRUNJBPKLFQW-LBEJWNQZSA-N
XLogP2.26
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-ethylimino-4-methylpentan-3-ol;lanthanum?
The IUPAC name of 3-ethyl-2-ethylimino-4-methylpentan-3-ol;lanthanum (CID 153491621) is 3-ethyl-2-ethylimino-4-methylpentan-3-ol;lanthanum.
What is the SMILES notation for 3-ethyl-2-ethylimino-4-methylpentan-3-ol;lanthanum?
The canonical SMILES for 3-ethyl-2-ethylimino-4-methylpentan-3-ol;lanthanum is CC/N=C(\C)C(O)(CC)C(C)C.[La].
What is the InChIKey of 3-ethyl-2-ethylimino-4-methylpentan-3-ol;lanthanum?
The InChIKey is MDGRUNJBPKLFQW-LBEJWNQZSA-N. The full InChI is InChI=1S/C10H21NO.La/c1-6-10(12,8(3)4)9(5)11-7-2;/h8,12H,6-7H2,1-5H3;/b11-9+;.
What are the key properties of 3-ethyl-2-ethylimino-4-methylpentan-3-ol;lanthanum?
3-ethyl-2-ethylimino-4-methylpentan-3-ol;lanthanum has a molecular weight of 310.19 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-ethylimino-4-methylpentan-3-ol;lanthanum is sourced from PubChem (CID 153491621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).