4-acetylnon-8-enyl 2-methoxyacetate

C14H24O4 — CID 58838628

IUPAC4-acetylnon-8-enyl 2-methoxyacetate
SMILESC=CCCCC(CCCOC(=O)COC)C(C)=O
InChIInChI=1S/C14H24O4/c1-4-5-6-8-13(12(2)15)9-7-10-18-14(16)11-17-3/h4,13H,1,5-11H2,2-3H3
InChIKeyHKGDBJOJHZJXGG-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.52
Rot. Bonds11

About 4-acetylnon-8-enyl 2-methoxyacetate

4-acetylnon-8-enyl 2-methoxyacetate (PubChem CID 58838628) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 4-acetylnon-8-enyl 2-methoxyacetate.

Molecular Properties

Compound Name4-acetylnon-8-enyl 2-methoxyacetate
PubChem CID58838628
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name4-acetylnon-8-enyl 2-methoxyacetate
SMILESC=CCCCC(CCCOC(=O)COC)C(C)=O
InChIInChI=1S/C14H24O4/c1-4-5-6-8-13(12(2)15)9-7-10-18-14(16)11-17-3/h4,13H,1,5-11H2,2-3H3
InChIKeyHKGDBJOJHZJXGG-UHFFFAOYSA-N
XLogP2.52
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-acetylnon-8-enyl 2-methoxyacetate?
The IUPAC name of 4-acetylnon-8-enyl 2-methoxyacetate (CID 58838628) is 4-acetylnon-8-enyl 2-methoxyacetate.
What is the SMILES notation for 4-acetylnon-8-enyl 2-methoxyacetate?
The canonical SMILES for 4-acetylnon-8-enyl 2-methoxyacetate is C=CCCCC(CCCOC(=O)COC)C(C)=O.
What is the InChIKey of 4-acetylnon-8-enyl 2-methoxyacetate?
The InChIKey is HKGDBJOJHZJXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-4-5-6-8-13(12(2)15)9-7-10-18-14(16)11-17-3/h4,13H,1,5-11H2,2-3H3.
What are the key properties of 4-acetylnon-8-enyl 2-methoxyacetate?
4-acetylnon-8-enyl 2-methoxyacetate has a molecular weight of 256.34 g/mol, XLogP of 2.52, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetylnon-8-enyl 2-methoxyacetate is sourced from PubChem (CID 58838628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).