(2E,7E,9E)-9-hydroxyimino-5,5,10,10-tetramethylundeca-2,7-dien-4-one

C15H25NO2 — CID 155027493

IUPAC(2E,7E,9E)-9-hydroxyimino-5,5,10,10-tetramethylundeca-2,7-dien-4-one
SMILESC/C=C/C(=O)C(C)(C)C/C=C/C(=N\O)C(C)(C)C
InChIInChI=1S/C15H25NO2/c1-7-9-13(17)15(5,6)11-8-10-12(16-18)14(2,3)4/h7-10,18H,11H2,1-6H3/b9-7+,10-8+,16-12+
InChIKeyHOFYWZPTJKBLGH-MKNRKCSJSA-N
MW251.37 g/mol
LogP3.98
Rot. Bonds5

About (2E,7E,9E)-9-hydroxyimino-5,5,10,10-tetramethylundeca-2,7-dien-4-one

(2E,7E,9E)-9-hydroxyimino-5,5,10,10-tetramethylundeca-2,7-dien-4-one (PubChem CID 155027493) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (2E,7E,9E)-9-hydroxyimino-5,5,10,10-tetramethylundeca-2,7-dien-4-one.

Molecular Properties

Compound Name(2E,7E,9E)-9-hydroxyimino-5,5,10,10-tetramethylundeca-2,7-dien-4-one
PubChem CID155027493
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(2E,7E,9E)-9-hydroxyimino-5,5,10,10-tetramethylundeca-2,7-dien-4-one
SMILESC/C=C/C(=O)C(C)(C)C/C=C/C(=N\O)C(C)(C)C
InChIInChI=1S/C15H25NO2/c1-7-9-13(17)15(5,6)11-8-10-12(16-18)14(2,3)4/h7-10,18H,11H2,1-6H3/b9-7+,10-8+,16-12+
InChIKeyHOFYWZPTJKBLGH-MKNRKCSJSA-N
XLogP3.98
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.98
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 (2E,7E,9E)-9-hydroxyimino-5,5,10,10-tetramethylundeca-2,7-dien-4-one?
The IUPAC name of (2E,7E,9E)-9-hydroxyimino-5,5,10,10-tetramethylundeca-2,7-dien-4-one (CID 155027493) is (2E,7E,9E)-9-hydroxyimino-5,5,10,10-tetramethylundeca-2,7-dien-4-one.
What is the SMILES notation for (2E,7E,9E)-9-hydroxyimino-5,5,10,10-tetramethylundeca-2,7-dien-4-one?
The canonical SMILES for (2E,7E,9E)-9-hydroxyimino-5,5,10,10-tetramethylundeca-2,7-dien-4-one is C/C=C/C(=O)C(C)(C)C/C=C/C(=N\O)C(C)(C)C.
What is the InChIKey of (2E,7E,9E)-9-hydroxyimino-5,5,10,10-tetramethylundeca-2,7-dien-4-one?
The InChIKey is HOFYWZPTJKBLGH-MKNRKCSJSA-N. The full InChI is InChI=1S/C15H25NO2/c1-7-9-13(17)15(5,6)11-8-10-12(16-18)14(2,3)4/h7-10,18H,11H2,1-6H3/b9-7+,10-8+,16-12+.
What are the key properties of (2E,7E,9E)-9-hydroxyimino-5,5,10,10-tetramethylundeca-2,7-dien-4-one?
(2E,7E,9E)-9-hydroxyimino-5,5,10,10-tetramethylundeca-2,7-dien-4-one has a molecular weight of 251.37 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,7E,9E)-9-hydroxyimino-5,5,10,10-tetramethylundeca-2,7-dien-4-one is sourced from PubChem (CID 155027493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).