(E,6E)-6-hydroxyimino-2,2-dimethyloct-4-en-3-one

C10H17NO2 — CID 15851641

IUPAC(E,6E)-6-hydroxyimino-2,2-dimethyloct-4-en-3-one
SMILESCCC(/C=C/C(=O)C(C)(C)C)=N\O
InChIInChI=1S/C10H17NO2/c1-5-8(11-13)6-7-9(12)10(2,3)4/h6-7,13H,5H2,1-4H3/b7-6+,11-8+
InChIKeyFXHNXIYFOXYTPB-HRCSPUOPSA-N
MW183.25 g/mol
LogP2.40
Rot. Bonds3

About (E,6E)-6-hydroxyimino-2,2-dimethyloct-4-en-3-one

(E,6E)-6-hydroxyimino-2,2-dimethyloct-4-en-3-one (PubChem CID 15851641) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (E,6E)-6-hydroxyimino-2,2-dimethyloct-4-en-3-one.

Molecular Properties

Compound Name(E,6E)-6-hydroxyimino-2,2-dimethyloct-4-en-3-one
PubChem CID15851641
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(E,6E)-6-hydroxyimino-2,2-dimethyloct-4-en-3-one
SMILESCCC(/C=C/C(=O)C(C)(C)C)=N\O
InChIInChI=1S/C10H17NO2/c1-5-8(11-13)6-7-9(12)10(2,3)4/h6-7,13H,5H2,1-4H3/b7-6+,11-8+
InChIKeyFXHNXIYFOXYTPB-HRCSPUOPSA-N
XLogP2.40
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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 (E,6E)-6-hydroxyimino-2,2-dimethyloct-4-en-3-one?
The IUPAC name of (E,6E)-6-hydroxyimino-2,2-dimethyloct-4-en-3-one (CID 15851641) is (E,6E)-6-hydroxyimino-2,2-dimethyloct-4-en-3-one.
What is the SMILES notation for (E,6E)-6-hydroxyimino-2,2-dimethyloct-4-en-3-one?
The canonical SMILES for (E,6E)-6-hydroxyimino-2,2-dimethyloct-4-en-3-one is CCC(/C=C/C(=O)C(C)(C)C)=N\O.
What is the InChIKey of (E,6E)-6-hydroxyimino-2,2-dimethyloct-4-en-3-one?
The InChIKey is FXHNXIYFOXYTPB-HRCSPUOPSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-8(11-13)6-7-9(12)10(2,3)4/h6-7,13H,5H2,1-4H3/b7-6+,11-8+.
What are the key properties of (E,6E)-6-hydroxyimino-2,2-dimethyloct-4-en-3-one?
(E,6E)-6-hydroxyimino-2,2-dimethyloct-4-en-3-one has a molecular weight of 183.25 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6E)-6-hydroxyimino-2,2-dimethyloct-4-en-3-one is sourced from PubChem (CID 15851641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).