2-methoxyiminoheptanoic acid

C8H15NO3 — CID 173316139

IUPAC2-methoxyiminoheptanoic acid
SMILESCCCCCC(=NOC)C(=O)O
InChIInChI=1S/C8H15NO3/c1-3-4-5-6-7(8(10)11)9-12-2/h3-6H2,1-2H3,(H,10,11)
InChIKeyHKIFEOLKKIMMFQ-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.65
Rot. Bonds6

About 2-methoxyiminoheptanoic acid

2-methoxyiminoheptanoic acid (PubChem CID 173316139) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-methoxyiminoheptanoic acid.

Molecular Properties

Compound Name2-methoxyiminoheptanoic acid
PubChem CID173316139
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-methoxyiminoheptanoic acid
SMILESCCCCCC(=NOC)C(=O)O
InChIInChI=1S/C8H15NO3/c1-3-4-5-6-7(8(10)11)9-12-2/h3-6H2,1-2H3,(H,10,11)
InChIKeyHKIFEOLKKIMMFQ-UHFFFAOYSA-N
XLogP1.65
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

2-hydroxyiminoheptanoic acid
CID 134822061
2-hydroxyiminohexanoic acid
CID 6399040
alumane;2-oxononadecanoic acid
CID 174495213
methoxymethane;octanoic acid
CID 87217062
alumane;tridecanoic acid
CID 174847518
2-methylidenedecanoic acid;2-methylideneundecanoic acid
CID 87527808
2-methoxyimino-3-oxohexanoic acid
CID 57203459
(E)-2,3-dioctadecylbut-2-enedioic acid
CID 87238050
heptanoyl octaneperoxoate
CID 142686679
2-oxotricosanoic acid
CID 5312932
heptadecanoyl heptadecaneperoxoate
CID 53438513
2-oxoheptadecanoic acid
CID 5312901

Frequently Asked Questions

What is the IUPAC name of 2-methoxyiminoheptanoic acid?
The IUPAC name of 2-methoxyiminoheptanoic acid (CID 173316139) is 2-methoxyiminoheptanoic acid.
What is the SMILES notation for 2-methoxyiminoheptanoic acid?
The canonical SMILES for 2-methoxyiminoheptanoic acid is CCCCCC(=NOC)C(=O)O.
What is the InChIKey of 2-methoxyiminoheptanoic acid?
The InChIKey is HKIFEOLKKIMMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-4-5-6-7(8(10)11)9-12-2/h3-6H2,1-2H3,(H,10,11).
What are the key properties of 2-methoxyiminoheptanoic acid?
2-methoxyiminoheptanoic acid has a molecular weight of 173.21 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyiminoheptanoic acid is sourced from PubChem (CID 173316139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).