ethyl (2Z)-2-methoxyimino-3-methylbutanoate

C8H15NO3 — CID 153028936

IUPACethyl (2Z)-2-methoxyimino-3-methylbutanoate
SMILESCCOC(=O)/C(=N\OC)C(C)C
InChIInChI=1S/C8H15NO3/c1-5-12-8(10)7(6(2)3)9-11-4/h6H,5H2,1-4H3/b9-7-
InChIKeyVDKSRLGOWKJORG-CLFYSBASSA-N
MW173.21 g/mol
LogP1.21
Rot. Bonds4

About ethyl (2Z)-2-methoxyimino-3-methylbutanoate

ethyl (2Z)-2-methoxyimino-3-methylbutanoate (PubChem CID 153028936) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl (2Z)-2-methoxyimino-3-methylbutanoate.

Molecular Properties

Compound Nameethyl (2Z)-2-methoxyimino-3-methylbutanoate
PubChem CID153028936
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl (2Z)-2-methoxyimino-3-methylbutanoate
SMILESCCOC(=O)/C(=N\OC)C(C)C
InChIInChI=1S/C8H15NO3/c1-5-12-8(10)7(6(2)3)9-11-4/h6H,5H2,1-4H3/b9-7-
InChIKeyVDKSRLGOWKJORG-CLFYSBASSA-N
XLogP1.21
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-methoxyimino-3-methylbutanoate?
The IUPAC name of ethyl (2Z)-2-methoxyimino-3-methylbutanoate (CID 153028936) is ethyl (2Z)-2-methoxyimino-3-methylbutanoate.
What is the SMILES notation for ethyl (2Z)-2-methoxyimino-3-methylbutanoate?
The canonical SMILES for ethyl (2Z)-2-methoxyimino-3-methylbutanoate is CCOC(=O)/C(=N\OC)C(C)C.
What is the InChIKey of ethyl (2Z)-2-methoxyimino-3-methylbutanoate?
The InChIKey is VDKSRLGOWKJORG-CLFYSBASSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5-12-8(10)7(6(2)3)9-11-4/h6H,5H2,1-4H3/b9-7-.
What are the key properties of ethyl (2Z)-2-methoxyimino-3-methylbutanoate?
ethyl (2Z)-2-methoxyimino-3-methylbutanoate has a molecular weight of 173.21 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-methoxyimino-3-methylbutanoate is sourced from PubChem (CID 153028936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).