methyl 2-ethyl-3-methoxyiminohexanoate

C10H19NO3 — CID 71408664

IUPACmethyl 2-ethyl-3-methoxyiminohexanoate
SMILESCCCC(=NOC)C(CC)C(=O)OC
InChIInChI=1S/C10H19NO3/c1-5-7-9(11-14-4)8(6-2)10(12)13-3/h8H,5-7H2,1-4H3
InChIKeyYENOIIBAMWIRRI-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.99
Rot. Bonds6

About methyl 2-ethyl-3-methoxyiminohexanoate

methyl 2-ethyl-3-methoxyiminohexanoate (PubChem CID 71408664) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 2-ethyl-3-methoxyiminohexanoate.

Molecular Properties

Compound Namemethyl 2-ethyl-3-methoxyiminohexanoate
PubChem CID71408664
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 2-ethyl-3-methoxyiminohexanoate
SMILESCCCC(=NOC)C(CC)C(=O)OC
InChIInChI=1S/C10H19NO3/c1-5-7-9(11-14-4)8(6-2)10(12)13-3/h8H,5-7H2,1-4H3
InChIKeyYENOIIBAMWIRRI-UHFFFAOYSA-N
XLogP1.99
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.99
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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Related Compounds

1-O-ethyl 3-O-methyl (2S)-2-ethylpropanedioate
CID 34173637
alumane;methyl 2-butanoyl-3-oxohexanoate
CID 173089546
methyl 2,3-diethyl-4-oxoheptanoate
CID 142729976
methyl 2-acetyl-4-methylideneheptanoate
CID 14194541
2-methoxycarbonylbutanoyl(methylidene)oxidanium
CID 140666434
1-O-ethoxycarbonyl 3-O-methyl 2-ethylpropanedioate
CID 174658003
methyl 4-ethoxy-2-ethyl-3-oxoheptanoate
CID 116728005
(3Z)-3-methoxyiminooctane-2,5-dione
CID 58202322
methyl 2-ethyl-4-methylsulfonyl-3-oxobutanoate
CID 114998881
dimethyl 2-dodecylpropanedioate
CID 158514957
dimethyl 2-(3-oxopentyl)propanedioate
CID 13315609
methyl 2-ethyl-4-methoxy-4-methyl-3-oxohexanoate
CID 116774833

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-3-methoxyiminohexanoate?
The IUPAC name of methyl 2-ethyl-3-methoxyiminohexanoate (CID 71408664) is methyl 2-ethyl-3-methoxyiminohexanoate.
What is the SMILES notation for methyl 2-ethyl-3-methoxyiminohexanoate?
The canonical SMILES for methyl 2-ethyl-3-methoxyiminohexanoate is CCCC(=NOC)C(CC)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-3-methoxyiminohexanoate?
The InChIKey is YENOIIBAMWIRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-7-9(11-14-4)8(6-2)10(12)13-3/h8H,5-7H2,1-4H3.
What are the key properties of methyl 2-ethyl-3-methoxyiminohexanoate?
methyl 2-ethyl-3-methoxyiminohexanoate has a molecular weight of 201.27 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-3-methoxyiminohexanoate is sourced from PubChem (CID 71408664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).