ethyl (2E)-2-hydroxyimino-5,5-dimethylhexanoate

C10H19NO3 — CID 18370813

IUPACethyl (2E)-2-hydroxyimino-5,5-dimethylhexanoate
SMILESCCOC(=O)/C(CCC(C)(C)C)=N/O
InChIInChI=1S/C10H19NO3/c1-5-14-9(12)8(11-13)6-7-10(2,3)4/h13H,5-7H2,1-4H3/b11-8+
InChIKeyHZRNGJMOTBGMDK-DHZHZOJOSA-N
MW201.27 g/mol
LogP2.21
Rot. Bonds4

About ethyl (2E)-2-hydroxyimino-5,5-dimethylhexanoate

ethyl (2E)-2-hydroxyimino-5,5-dimethylhexanoate (PubChem CID 18370813) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl (2E)-2-hydroxyimino-5,5-dimethylhexanoate.

Molecular Properties

Compound Nameethyl (2E)-2-hydroxyimino-5,5-dimethylhexanoate
PubChem CID18370813
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl (2E)-2-hydroxyimino-5,5-dimethylhexanoate
SMILESCCOC(=O)/C(CCC(C)(C)C)=N/O
InChIInChI=1S/C10H19NO3/c1-5-14-9(12)8(11-13)6-7-10(2,3)4/h13H,5-7H2,1-4H3/b11-8+
InChIKeyHZRNGJMOTBGMDK-DHZHZOJOSA-N
XLogP2.21
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.21
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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Related Compounds

1-O-ethyl 5-O-methyl (2Z)-2-hydroxyiminopentanedioate
CID 88776427
[(3Z)-4-ethoxy-3-hydroxyimino-4-oxobutyl]-diethyl-methylazanium
CID 7380937
ethyl (2Z)-5-cyano-2-hydroxyiminopentanoate
CID 6399056
ethyl (2E)-5-cyclohexyl-2-hydroxyiminopentanoate
CID 18370085
ethyl (2Z,4E)-2,4-bis(hydroxyimino)butanoate
CID 139266119
ethyl 2-hydroxyimino-7-oxo-7-(propan-2-ylamino)heptanoate
CID 131872190
ethyl (2E)-2-amino-2-hydroxyiminoacetate
CID 6411350
ethyl 2-hydroxyiminopropanoate
CID 6399798
ethyl (2Z,4Z)-2,4-bis(hydroxyimino)-4-phenylbutanoate
CID 139266120
ethyl (2E)-5-(4-fluorophenoxy)-2-hydroxyiminopentanoate
CID 18370808
ethyl 2-hydroxyimino-3-(4-methylphenyl)propanoate
CID 142461557
ethyl (Z)-3,6,6-trimethylhept-2-enoate
CID 144647391

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-hydroxyimino-5,5-dimethylhexanoate?
The IUPAC name of ethyl (2E)-2-hydroxyimino-5,5-dimethylhexanoate (CID 18370813) is ethyl (2E)-2-hydroxyimino-5,5-dimethylhexanoate.
What is the SMILES notation for ethyl (2E)-2-hydroxyimino-5,5-dimethylhexanoate?
The canonical SMILES for ethyl (2E)-2-hydroxyimino-5,5-dimethylhexanoate is CCOC(=O)/C(CCC(C)(C)C)=N/O.
What is the InChIKey of ethyl (2E)-2-hydroxyimino-5,5-dimethylhexanoate?
The InChIKey is HZRNGJMOTBGMDK-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-14-9(12)8(11-13)6-7-10(2,3)4/h13H,5-7H2,1-4H3/b11-8+.
What are the key properties of ethyl (2E)-2-hydroxyimino-5,5-dimethylhexanoate?
ethyl (2E)-2-hydroxyimino-5,5-dimethylhexanoate has a molecular weight of 201.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-hydroxyimino-5,5-dimethylhexanoate is sourced from PubChem (CID 18370813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).