(Z)-5-methoxyhex-4-en-2-one

C7H12O2 — CID 87291047

IUPAC(Z)-5-methoxyhex-4-en-2-one
SMILESCO/C(C)=C\CC(C)=O
InChIInChI=1S/C7H12O2/c1-6(8)4-5-7(2)9-3/h5H,4H2,1-3H3/b7-5-
InChIKeyGXZYUZCQUCMAOL-ALCCZGGFSA-N
MW128.17 g/mol
LogP1.52
Rot. Bonds3

About (Z)-5-methoxyhex-4-en-2-one

(Z)-5-methoxyhex-4-en-2-one (PubChem CID 87291047) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (Z)-5-methoxyhex-4-en-2-one.

Molecular Properties

Compound Name(Z)-5-methoxyhex-4-en-2-one
PubChem CID87291047
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(Z)-5-methoxyhex-4-en-2-one
SMILESCO/C(C)=C\CC(C)=O
InChIInChI=1S/C7H12O2/c1-6(8)4-5-7(2)9-3/h5H,4H2,1-3H3/b7-5-
InChIKeyGXZYUZCQUCMAOL-ALCCZGGFSA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(Z)-2-methoxyhept-2-ene
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(E)-5-ethyl-2-methoxyhept-2-ene
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Frequently Asked Questions

What is the IUPAC name of (Z)-5-methoxyhex-4-en-2-one?
The IUPAC name of (Z)-5-methoxyhex-4-en-2-one (CID 87291047) is (Z)-5-methoxyhex-4-en-2-one.
What is the SMILES notation for (Z)-5-methoxyhex-4-en-2-one?
The canonical SMILES for (Z)-5-methoxyhex-4-en-2-one is CO/C(C)=C\CC(C)=O.
What is the InChIKey of (Z)-5-methoxyhex-4-en-2-one?
The InChIKey is GXZYUZCQUCMAOL-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H12O2/c1-6(8)4-5-7(2)9-3/h5H,4H2,1-3H3/b7-5-.
What are the key properties of (Z)-5-methoxyhex-4-en-2-one?
(Z)-5-methoxyhex-4-en-2-one has a molecular weight of 128.17 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methoxyhex-4-en-2-one is sourced from PubChem (CID 87291047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).