6-chloro-6-methoxyimino-3-oxohexanoic acid

C7H10ClNO4 — CID 174259125

IUPAC6-chloro-6-methoxyimino-3-oxohexanoic acid
SMILESCON=C(Cl)CCC(=O)CC(=O)O
InChIInChI=1S/C7H10ClNO4/c1-13-9-6(8)3-2-5(10)4-7(11)12/h2-4H2,1H3,(H,11,12)
InChIKeyUZFFCHVYVBJFEL-UHFFFAOYSA-N
MW207.61 g/mol
LogP1.01
Rot. Bonds6

About 6-chloro-6-methoxyimino-3-oxohexanoic acid

6-chloro-6-methoxyimino-3-oxohexanoic acid (PubChem CID 174259125) has the molecular formula C7H10ClNO4 and a molecular weight of 207.61 g/mol. Its IUPAC name is 6-chloro-6-methoxyimino-3-oxohexanoic acid.

Molecular Properties

Compound Name6-chloro-6-methoxyimino-3-oxohexanoic acid
PubChem CID174259125
Molecular FormulaC7H10ClNO4
Molecular Weight207.61 g/mol
Exact Mass207.03
IUPAC Name6-chloro-6-methoxyimino-3-oxohexanoic acid
SMILESCON=C(Cl)CCC(=O)CC(=O)O
InChIInChI=1S/C7H10ClNO4/c1-13-9-6(8)3-2-5(10)4-7(11)12/h2-4H2,1H3,(H,11,12)
InChIKeyUZFFCHVYVBJFEL-UHFFFAOYSA-N
XLogP1.01
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.61
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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

3-oxohexanedioic acid;sulfane
CID 174916165
6-methoxy-3-oxohexanoic acid
CID 57018252
4-bromo-4-methoxyimino-3-oxobutanoic acid
CID 90773102
bis(3-oxohexanoic acid);silane
CID 175228530
3,16-dioxooctadecanedioic acid
CID 22644280
5-nitroso-3-oxopentanoic acid
CID 57141652
(3Z)-3-methoxyiminooctane-2,5-dione
CID 58202322
methyl 4-chloro-4-methoxyimino-3-oxobutanoate
CID 3017960
7-chloro-3-oxoheptanoic acid
CID 22488478
dimethyl 4-methoxyiminoheptanedioate
CID 587685
8-[(2-methylpropan-2-yl)oxycarbonylamino]-3,6-dioxooctanoic acid
CID 175573604
hydrazine;3-oxopentanedioic acid
CID 175290399

Frequently Asked Questions

What is the IUPAC name of 6-chloro-6-methoxyimino-3-oxohexanoic acid?
The IUPAC name of 6-chloro-6-methoxyimino-3-oxohexanoic acid (CID 174259125) is 6-chloro-6-methoxyimino-3-oxohexanoic acid.
What is the SMILES notation for 6-chloro-6-methoxyimino-3-oxohexanoic acid?
The canonical SMILES for 6-chloro-6-methoxyimino-3-oxohexanoic acid is CON=C(Cl)CCC(=O)CC(=O)O.
What is the InChIKey of 6-chloro-6-methoxyimino-3-oxohexanoic acid?
The InChIKey is UZFFCHVYVBJFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO4/c1-13-9-6(8)3-2-5(10)4-7(11)12/h2-4H2,1H3,(H,11,12).
What are the key properties of 6-chloro-6-methoxyimino-3-oxohexanoic acid?
6-chloro-6-methoxyimino-3-oxohexanoic acid has a molecular weight of 207.61 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-6-methoxyimino-3-oxohexanoic acid is sourced from PubChem (CID 174259125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).