ethyl (2Z,4Z)-2,4-bis(methoxyimino)octanoate

C12H22N2O4 — CID 19783213

IUPACethyl (2Z,4Z)-2,4-bis(methoxyimino)octanoate
SMILESCCCC/C(C/C(=N/OC)C(=O)OCC)=N/OC
InChIInChI=1S/C12H22N2O4/c1-5-7-8-10(13-16-3)9-11(14-17-4)12(15)18-6-2/h5-9H2,1-4H3/b13-10-,14-11-
InChIKeyPBFPYIHMOVEBPI-WGYBXSNTSA-N
MW258.32 g/mol
LogP2.13
Rot. Bonds9

About ethyl (2Z,4Z)-2,4-bis(methoxyimino)octanoate

ethyl (2Z,4Z)-2,4-bis(methoxyimino)octanoate (PubChem CID 19783213) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl (2Z,4Z)-2,4-bis(methoxyimino)octanoate.

Molecular Properties

Compound Nameethyl (2Z,4Z)-2,4-bis(methoxyimino)octanoate
PubChem CID19783213
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Nameethyl (2Z,4Z)-2,4-bis(methoxyimino)octanoate
SMILESCCCC/C(C/C(=N/OC)C(=O)OCC)=N/OC
InChIInChI=1S/C12H22N2O4/c1-5-7-8-10(13-16-3)9-11(14-17-4)12(15)18-6-2/h5-9H2,1-4H3/b13-10-,14-11-
InChIKeyPBFPYIHMOVEBPI-WGYBXSNTSA-N
XLogP2.13
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

ethyl 2-methoxyimino-5-methyl-4-oxohexanoate
CID 86632548
ethyl 2-methoxyimino-5,5-dimethyl-4-oxohexanoate
CID 76750210
ethyl 2-methoxyimino-4-oxobutanoate
CID 87332904
1-O-ethyl 5-O-methyl (2Z)-2-hydroxyiminopentanedioate
CID 88776427
ethyl 2-oxoheptanoate
CID 11745091
diethyl (Z)-2,3-dibutylbut-2-enedioate;stannane
CID 173106859
2-methoxyiminoheptanoic acid
CID 173316139
diethyl oxalate;heptan-3-one
CID 174811916
ethyl (2E)-3-amino-2-methoxyimino-3-oxopropanoate
CID 14075610
ethyl 2-propan-2-ylidenehexanoate
CID 12572598
dimethyl (2E)-2-methoxyiminobutanedioate
CID 5365394
methyl 2-(1-aminoethylidene)hexanoate
CID 173062965

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z,4Z)-2,4-bis(methoxyimino)octanoate?
The IUPAC name of ethyl (2Z,4Z)-2,4-bis(methoxyimino)octanoate (CID 19783213) is ethyl (2Z,4Z)-2,4-bis(methoxyimino)octanoate.
What is the SMILES notation for ethyl (2Z,4Z)-2,4-bis(methoxyimino)octanoate?
The canonical SMILES for ethyl (2Z,4Z)-2,4-bis(methoxyimino)octanoate is CCCC/C(C/C(=N/OC)C(=O)OCC)=N/OC.
What is the InChIKey of ethyl (2Z,4Z)-2,4-bis(methoxyimino)octanoate?
The InChIKey is PBFPYIHMOVEBPI-WGYBXSNTSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-5-7-8-10(13-16-3)9-11(14-17-4)12(15)18-6-2/h5-9H2,1-4H3/b13-10-,14-11-.
What are the key properties of ethyl (2Z,4Z)-2,4-bis(methoxyimino)octanoate?
ethyl (2Z,4Z)-2,4-bis(methoxyimino)octanoate has a molecular weight of 258.32 g/mol, XLogP of 2.13, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z,4Z)-2,4-bis(methoxyimino)octanoate is sourced from PubChem (CID 19783213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).