ethyl 2-hydroxyimino-5,5-dimethylhexanoate

C10H19NO3 — CID 73432782

IUPACethyl 2-hydroxyimino-5,5-dimethylhexanoate
SMILESCCOC(=O)C(CCC(C)(C)C)=NO
InChIInChI=1S/C10H19NO3/c1-5-14-9(12)8(11-13)6-7-10(2,3)4/h13H,5-7H2,1-4H3
InChIKeyHZRNGJMOTBGMDK-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.21
Rot. Bonds4

About ethyl 2-hydroxyimino-5,5-dimethylhexanoate

ethyl 2-hydroxyimino-5,5-dimethylhexanoate (PubChem CID 73432782) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 2-hydroxyimino-5,5-dimethylhexanoate.

Molecular Properties

Compound Nameethyl 2-hydroxyimino-5,5-dimethylhexanoate
PubChem CID73432782
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 2-hydroxyimino-5,5-dimethylhexanoate
SMILESCCOC(=O)C(CCC(C)(C)C)=NO
InChIInChI=1S/C10H19NO3/c1-5-14-9(12)8(11-13)6-7-10(2,3)4/h13H,5-7H2,1-4H3
InChIKeyHZRNGJMOTBGMDK-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxyimino-5,5-dimethylhexanoate?
The IUPAC name of ethyl 2-hydroxyimino-5,5-dimethylhexanoate (CID 73432782) is ethyl 2-hydroxyimino-5,5-dimethylhexanoate.
What is the SMILES notation for ethyl 2-hydroxyimino-5,5-dimethylhexanoate?
The canonical SMILES for ethyl 2-hydroxyimino-5,5-dimethylhexanoate is CCOC(=O)C(CCC(C)(C)C)=NO.
What is the InChIKey of ethyl 2-hydroxyimino-5,5-dimethylhexanoate?
The InChIKey is HZRNGJMOTBGMDK-UHFFFAOYSA-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.
What are the key properties of ethyl 2-hydroxyimino-5,5-dimethylhexanoate?
ethyl 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 2-hydroxyimino-5,5-dimethylhexanoate is sourced from PubChem (CID 73432782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).