(4E)-4-methoxyimino-2,2,5-trimethylhexan-3-one

C10H19NO2 — CID 156683675

IUPAC(4E)-4-methoxyimino-2,2,5-trimethylhexan-3-one
SMILESCO/N=C(/C(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C10H19NO2/c1-7(2)8(11-13-6)9(12)10(3,4)5/h7H,1-6H3/b11-8+
InChIKeySSKCCDQWEULNLZ-DHZHZOJOSA-N
MW185.27 g/mol
LogP2.26
Rot. Bonds3

About (4E)-4-methoxyimino-2,2,5-trimethylhexan-3-one

(4E)-4-methoxyimino-2,2,5-trimethylhexan-3-one (PubChem CID 156683675) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (4E)-4-methoxyimino-2,2,5-trimethylhexan-3-one.

Molecular Properties

Compound Name(4E)-4-methoxyimino-2,2,5-trimethylhexan-3-one
PubChem CID156683675
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(4E)-4-methoxyimino-2,2,5-trimethylhexan-3-one
SMILESCO/N=C(/C(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C10H19NO2/c1-7(2)8(11-13-6)9(12)10(3,4)5/h7H,1-6H3/b11-8+
InChIKeySSKCCDQWEULNLZ-DHZHZOJOSA-N
XLogP2.26
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

trimethylsilyl (2Z)-2-methoxyimino-3-methylbutanoate
CID 5366487
4-amino-2,2,6-trimethylheptan-3-one;(4S)-4-amino-2,2,6-trimethylheptan-3-one;(4R)-4-amino-2,2,6-trimethylheptan-3-one;N-hydroxy-2,2-dimethyl-N-propan-2-ylpropanamide;4-methoxyimino-2,2,5-trimethylhexan-3-one;2,2,6-trimethylheptan-3-one
CID 159701263
[(Z)-2,2,4-trimethylpentan-3-ylideneamino] acetate
CID 129117712
CID 87878530
CID 87878530
[tert-butyl(dimethyl)silyl] (2E)-2-methoxyimino-3-methylpentanoate
CID 91752573
propan-2-yl 2,2-dimethylpropaneperoxoate
CID 54308386
2,2-dimethylpropanoyl 3,3-dimethyl-2-oxobutanoate;propan-2-ol;titanium
CID 87613447
[(2S)-1-chloro-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 18639920
[(2R)-1-(2,2-dimethylpropanoyloxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 59581101
methyl 2,2-dimethylpropanoate;2-methylpropan-1-ol
CID 87522003
N-methoxy-2-methylpentan-3-imine
CID 72584290
methyl 2,3-dimethyl-2-(propan-2-ylamino)butanoate
CID 62488791

Frequently Asked Questions

What is the IUPAC name of (4E)-4-methoxyimino-2,2,5-trimethylhexan-3-one?
The IUPAC name of (4E)-4-methoxyimino-2,2,5-trimethylhexan-3-one (CID 156683675) is (4E)-4-methoxyimino-2,2,5-trimethylhexan-3-one.
What is the SMILES notation for (4E)-4-methoxyimino-2,2,5-trimethylhexan-3-one?
The canonical SMILES for (4E)-4-methoxyimino-2,2,5-trimethylhexan-3-one is CO/N=C(/C(=O)C(C)(C)C)C(C)C.
What is the InChIKey of (4E)-4-methoxyimino-2,2,5-trimethylhexan-3-one?
The InChIKey is SSKCCDQWEULNLZ-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)8(11-13-6)9(12)10(3,4)5/h7H,1-6H3/b11-8+.
What are the key properties of (4E)-4-methoxyimino-2,2,5-trimethylhexan-3-one?
(4E)-4-methoxyimino-2,2,5-trimethylhexan-3-one has a molecular weight of 185.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-methoxyimino-2,2,5-trimethylhexan-3-one is sourced from PubChem (CID 156683675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).