(E)-2-methoxyoct-2-en-4-one

C9H16O2 — CID 5369215

IUPAC(E)-2-methoxyoct-2-en-4-one
SMILESCCCCC(=O)/C=C(\C)OC
InChIInChI=1S/C9H16O2/c1-4-5-6-9(10)7-8(2)11-3/h7H,4-6H2,1-3H3/b8-7+
InChIKeyFXMJPAZSMVEADT-BQYQJAHWSA-N
MW156.22 g/mol
LogP2.30
Rot. Bonds5

About (E)-2-methoxyoct-2-en-4-one

(E)-2-methoxyoct-2-en-4-one (PubChem CID 5369215) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (E)-2-methoxyoct-2-en-4-one.

Molecular Properties

Compound Name(E)-2-methoxyoct-2-en-4-one
PubChem CID5369215
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(E)-2-methoxyoct-2-en-4-one
SMILESCCCCC(=O)/C=C(\C)OC
InChIInChI=1S/C9H16O2/c1-4-5-6-9(10)7-8(2)11-3/h7H,4-6H2,1-3H3/b8-7+
InChIKeyFXMJPAZSMVEADT-BQYQJAHWSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methoxyoct-2-en-4-one?
The IUPAC name of (E)-2-methoxyoct-2-en-4-one (CID 5369215) is (E)-2-methoxyoct-2-en-4-one.
What is the SMILES notation for (E)-2-methoxyoct-2-en-4-one?
The canonical SMILES for (E)-2-methoxyoct-2-en-4-one is CCCCC(=O)/C=C(\C)OC.
What is the InChIKey of (E)-2-methoxyoct-2-en-4-one?
The InChIKey is FXMJPAZSMVEADT-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-5-6-9(10)7-8(2)11-3/h7H,4-6H2,1-3H3/b8-7+.
What are the key properties of (E)-2-methoxyoct-2-en-4-one?
(E)-2-methoxyoct-2-en-4-one has a molecular weight of 156.22 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methoxyoct-2-en-4-one is sourced from PubChem (CID 5369215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).