4-methoxyimino-5-methylhex-5-en-2-one

C8H13NO2 — CID 123810091

IUPAC4-methoxyimino-5-methylhex-5-en-2-one
SMILESC=C(C)C(CC(C)=O)=NOC
InChIInChI=1S/C8H13NO2/c1-6(2)8(9-11-4)5-7(3)10/h1,5H2,2-4H3
InChIKeyBKMRKPTVVQMAKE-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.54
Rot. Bonds4

About 4-methoxyimino-5-methylhex-5-en-2-one

4-methoxyimino-5-methylhex-5-en-2-one (PubChem CID 123810091) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-methoxyimino-5-methylhex-5-en-2-one.

Molecular Properties

Compound Name4-methoxyimino-5-methylhex-5-en-2-one
PubChem CID123810091
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-methoxyimino-5-methylhex-5-en-2-one
SMILESC=C(C)C(CC(C)=O)=NOC
InChIInChI=1S/C8H13NO2/c1-6(2)8(9-11-4)5-7(3)10/h1,5H2,2-4H3
InChIKeyBKMRKPTVVQMAKE-UHFFFAOYSA-N
XLogP1.54
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 4-methoxyimino-5-methylhex-5-en-2-one?
The IUPAC name of 4-methoxyimino-5-methylhex-5-en-2-one (CID 123810091) is 4-methoxyimino-5-methylhex-5-en-2-one.
What is the SMILES notation for 4-methoxyimino-5-methylhex-5-en-2-one?
The canonical SMILES for 4-methoxyimino-5-methylhex-5-en-2-one is C=C(C)C(CC(C)=O)=NOC.
What is the InChIKey of 4-methoxyimino-5-methylhex-5-en-2-one?
The InChIKey is BKMRKPTVVQMAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(2)8(9-11-4)5-7(3)10/h1,5H2,2-4H3.
What are the key properties of 4-methoxyimino-5-methylhex-5-en-2-one?
4-methoxyimino-5-methylhex-5-en-2-one has a molecular weight of 155.20 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyimino-5-methylhex-5-en-2-one is sourced from PubChem (CID 123810091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).