[(2E)-5-tert-butyl-2-methoxyiminocyclohexyl]methyl acetate

C14H25NO3 — CID 135008577

IUPAC[(2E)-5-tert-butyl-2-methoxyiminocyclohexyl]methyl acetate
SMILESCO/N=C1\CCC(C(C)(C)C)CC1COC(C)=O
InChIInChI=1S/C14H25NO3/c1-10(16)18-9-11-8-12(14(2,3)4)6-7-13(11)15-17-5/h11-12H,6-9H2,1-5H3/b15-13+
InChIKeyJLLOQNZNTLDJQI-FYWRMAATSA-N
MW255.36 g/mol
LogP3.01
Rot. Bonds3

About [(2E)-5-tert-butyl-2-methoxyiminocyclohexyl]methyl acetate

[(2E)-5-tert-butyl-2-methoxyiminocyclohexyl]methyl acetate (PubChem CID 135008577) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is [(2E)-5-tert-butyl-2-methoxyiminocyclohexyl]methyl acetate.

Molecular Properties

Compound Name[(2E)-5-tert-butyl-2-methoxyiminocyclohexyl]methyl acetate
PubChem CID135008577
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name[(2E)-5-tert-butyl-2-methoxyiminocyclohexyl]methyl acetate
SMILESCO/N=C1\CCC(C(C)(C)C)CC1COC(C)=O
InChIInChI=1S/C14H25NO3/c1-10(16)18-9-11-8-12(14(2,3)4)6-7-13(11)15-17-5/h11-12H,6-9H2,1-5H3/b15-13+
InChIKeyJLLOQNZNTLDJQI-FYWRMAATSA-N
XLogP3.01
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E)-5-tert-butyl-2-methoxyiminocyclohexyl]methyl acetate?
The IUPAC name of [(2E)-5-tert-butyl-2-methoxyiminocyclohexyl]methyl acetate (CID 135008577) is [(2E)-5-tert-butyl-2-methoxyiminocyclohexyl]methyl acetate.
What is the SMILES notation for [(2E)-5-tert-butyl-2-methoxyiminocyclohexyl]methyl acetate?
The canonical SMILES for [(2E)-5-tert-butyl-2-methoxyiminocyclohexyl]methyl acetate is CO/N=C1\CCC(C(C)(C)C)CC1COC(C)=O.
What is the InChIKey of [(2E)-5-tert-butyl-2-methoxyiminocyclohexyl]methyl acetate?
The InChIKey is JLLOQNZNTLDJQI-FYWRMAATSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10(16)18-9-11-8-12(14(2,3)4)6-7-13(11)15-17-5/h11-12H,6-9H2,1-5H3/b15-13+.
What are the key properties of [(2E)-5-tert-butyl-2-methoxyiminocyclohexyl]methyl acetate?
[(2E)-5-tert-butyl-2-methoxyiminocyclohexyl]methyl acetate has a molecular weight of 255.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-5-tert-butyl-2-methoxyiminocyclohexyl]methyl acetate is sourced from PubChem (CID 135008577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).