ethyl 2-hydroxyimino-3-methylpentanoate

C8H15NO3 — CID 85038353

IUPACethyl 2-hydroxyimino-3-methylpentanoate
SMILESCCOC(=O)C(=NO)C(C)CC
InChIInChI=1S/C8H15NO3/c1-4-6(3)7(9-11)8(10)12-5-2/h6,11H,4-5H2,1-3H3
InChIKeyVQSQBXGNFPCNKN-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.43
Rot. Bonds4

About ethyl 2-hydroxyimino-3-methylpentanoate

ethyl 2-hydroxyimino-3-methylpentanoate (PubChem CID 85038353) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl 2-hydroxyimino-3-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-hydroxyimino-3-methylpentanoate
PubChem CID85038353
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl 2-hydroxyimino-3-methylpentanoate
SMILESCCOC(=O)C(=NO)C(C)CC
InChIInChI=1S/C8H15NO3/c1-4-6(3)7(9-11)8(10)12-5-2/h6,11H,4-5H2,1-3H3
InChIKeyVQSQBXGNFPCNKN-UHFFFAOYSA-N
XLogP1.43
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 ethyl 2-hydroxyimino-3-methylpentanoate?
The IUPAC name of ethyl 2-hydroxyimino-3-methylpentanoate (CID 85038353) is ethyl 2-hydroxyimino-3-methylpentanoate.
What is the SMILES notation for ethyl 2-hydroxyimino-3-methylpentanoate?
The canonical SMILES for ethyl 2-hydroxyimino-3-methylpentanoate is CCOC(=O)C(=NO)C(C)CC.
What is the InChIKey of ethyl 2-hydroxyimino-3-methylpentanoate?
The InChIKey is VQSQBXGNFPCNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-4-6(3)7(9-11)8(10)12-5-2/h6,11H,4-5H2,1-3H3.
What are the key properties of ethyl 2-hydroxyimino-3-methylpentanoate?
ethyl 2-hydroxyimino-3-methylpentanoate has a molecular weight of 173.21 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxyimino-3-methylpentanoate is sourced from PubChem (CID 85038353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).