3-acetylnon-8-enyl 2-methoxypropanoate

C15H26O4 — CID 58838634

IUPAC3-acetylnon-8-enyl 2-methoxypropanoate
SMILESC=CCCCCC(CCOC(=O)C(C)OC)C(C)=O
InChIInChI=1S/C15H26O4/c1-5-6-7-8-9-14(12(2)16)10-11-19-15(17)13(3)18-4/h5,13-14H,1,6-11H2,2-4H3
InChIKeyATFYTVSWVHGULE-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.91
Rot. Bonds11

About 3-acetylnon-8-enyl 2-methoxypropanoate

3-acetylnon-8-enyl 2-methoxypropanoate (PubChem CID 58838634) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-acetylnon-8-enyl 2-methoxypropanoate.

Molecular Properties

Compound Name3-acetylnon-8-enyl 2-methoxypropanoate
PubChem CID58838634
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name3-acetylnon-8-enyl 2-methoxypropanoate
SMILESC=CCCCCC(CCOC(=O)C(C)OC)C(C)=O
InChIInChI=1S/C15H26O4/c1-5-6-7-8-9-14(12(2)16)10-11-19-15(17)13(3)18-4/h5,13-14H,1,6-11H2,2-4H3
InChIKeyATFYTVSWVHGULE-UHFFFAOYSA-N
XLogP2.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.91
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 3-acetylnon-8-enyl 2-methoxypropanoate?
The IUPAC name of 3-acetylnon-8-enyl 2-methoxypropanoate (CID 58838634) is 3-acetylnon-8-enyl 2-methoxypropanoate.
What is the SMILES notation for 3-acetylnon-8-enyl 2-methoxypropanoate?
The canonical SMILES for 3-acetylnon-8-enyl 2-methoxypropanoate is C=CCCCCC(CCOC(=O)C(C)OC)C(C)=O.
What is the InChIKey of 3-acetylnon-8-enyl 2-methoxypropanoate?
The InChIKey is ATFYTVSWVHGULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-5-6-7-8-9-14(12(2)16)10-11-19-15(17)13(3)18-4/h5,13-14H,1,6-11H2,2-4H3.
What are the key properties of 3-acetylnon-8-enyl 2-methoxypropanoate?
3-acetylnon-8-enyl 2-methoxypropanoate has a molecular weight of 270.37 g/mol, XLogP of 2.91, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetylnon-8-enyl 2-methoxypropanoate is sourced from PubChem (CID 58838634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).