(1Z)-1-methoxyimino-4,4-dimethylpentan-3-one

C8H15NO2 — CID 159070752

IUPAC(1Z)-1-methoxyimino-4,4-dimethylpentan-3-one
SMILESCO/N=C\CC(=O)C(C)(C)C
InChIInChI=1S/C8H15NO2/c1-8(2,3)7(10)5-6-9-11-4/h6H,5H2,1-4H3/b9-6-
InChIKeyJZPRHLCWZOUANM-TWGQIWQCSA-N
MW157.21 g/mol
LogP1.62
Rot. Bonds3

About (1Z)-1-methoxyimino-4,4-dimethylpentan-3-one

(1Z)-1-methoxyimino-4,4-dimethylpentan-3-one (PubChem CID 159070752) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (1Z)-1-methoxyimino-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name(1Z)-1-methoxyimino-4,4-dimethylpentan-3-one
PubChem CID159070752
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(1Z)-1-methoxyimino-4,4-dimethylpentan-3-one
SMILESCO/N=C\CC(=O)C(C)(C)C
InChIInChI=1S/C8H15NO2/c1-8(2,3)7(10)5-6-9-11-4/h6H,5H2,1-4H3/b9-6-
InChIKeyJZPRHLCWZOUANM-TWGQIWQCSA-N
XLogP1.62
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

(1E)-1-(dimethylhydrazinylidene)-4,4-dimethylpentan-3-one
CID 14786271
1-(2-hydroxyethylimino)-4,4-dimethylpentan-3-one
CID 139752198
calcium 2,2,6,6-tetramethylheptane-3,5-dione
CID 21192278
N,N'-dimethoxypropane-1,3-diimine
CID 54222085
N-[(Z)-methoxyiminomethyl]-2,2-dimethylpropanamide
CID 166778270
N-[(E)-methoxyiminomethyl]-2,2-dimethylpropanamide
CID 146312727
calcium;hydride;2,2,6,6-tetramethylheptane-3,5-dione
CID 173276240
ethyl (E)-6,6-dimethyl-5-oxohept-2-enoate
CID 101082824
6-(5,5-dimethyl-4-oxohexoxy)-2,2-dimethylhexan-3-one
CID 148963643
praseodymium;2,2,6,6-tetramethylheptane-3,5-dione
CID 139531007
2-(tert-butylamino)-1-methoxyimino-4,4-dimethylpentan-3-one
CID 59446093
(Z)-N,2-dimethoxyethanimine;2-methoxyacetaldehyde
CID 54355769

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-methoxyimino-4,4-dimethylpentan-3-one?
The IUPAC name of (1Z)-1-methoxyimino-4,4-dimethylpentan-3-one (CID 159070752) is (1Z)-1-methoxyimino-4,4-dimethylpentan-3-one.
What is the SMILES notation for (1Z)-1-methoxyimino-4,4-dimethylpentan-3-one?
The canonical SMILES for (1Z)-1-methoxyimino-4,4-dimethylpentan-3-one is CO/N=C\CC(=O)C(C)(C)C.
What is the InChIKey of (1Z)-1-methoxyimino-4,4-dimethylpentan-3-one?
The InChIKey is JZPRHLCWZOUANM-TWGQIWQCSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2,3)7(10)5-6-9-11-4/h6H,5H2,1-4H3/b9-6-.
What are the key properties of (1Z)-1-methoxyimino-4,4-dimethylpentan-3-one?
(1Z)-1-methoxyimino-4,4-dimethylpentan-3-one has a molecular weight of 157.21 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-methoxyimino-4,4-dimethylpentan-3-one is sourced from PubChem (CID 159070752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).