4-acetyloct-7-enyl 5-methoxypentanoate

C16H28O4 — CID 58838638

IUPAC4-acetyloct-7-enyl 5-methoxypentanoate
SMILESC=CCCC(CCCOC(=O)CCCCOC)C(C)=O
InChIInChI=1S/C16H28O4/c1-4-5-9-15(14(2)17)10-8-13-20-16(18)11-6-7-12-19-3/h4,15H,1,5-13H2,2-3H3
InChIKeyOOUYGDBLPFEBGK-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.30
Rot. Bonds13

About 4-acetyloct-7-enyl 5-methoxypentanoate

4-acetyloct-7-enyl 5-methoxypentanoate (PubChem CID 58838638) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-acetyloct-7-enyl 5-methoxypentanoate.

Molecular Properties

Compound Name4-acetyloct-7-enyl 5-methoxypentanoate
PubChem CID58838638
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name4-acetyloct-7-enyl 5-methoxypentanoate
SMILESC=CCCC(CCCOC(=O)CCCCOC)C(C)=O
InChIInChI=1S/C16H28O4/c1-4-5-9-15(14(2)17)10-8-13-20-16(18)11-6-7-12-19-3/h4,15H,1,5-13H2,2-3H3
InChIKeyOOUYGDBLPFEBGK-UHFFFAOYSA-N
XLogP3.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.30
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-acetyloct-7-enyl 5-methoxypentanoate?
The IUPAC name of 4-acetyloct-7-enyl 5-methoxypentanoate (CID 58838638) is 4-acetyloct-7-enyl 5-methoxypentanoate.
What is the SMILES notation for 4-acetyloct-7-enyl 5-methoxypentanoate?
The canonical SMILES for 4-acetyloct-7-enyl 5-methoxypentanoate is C=CCCC(CCCOC(=O)CCCCOC)C(C)=O.
What is the InChIKey of 4-acetyloct-7-enyl 5-methoxypentanoate?
The InChIKey is OOUYGDBLPFEBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-4-5-9-15(14(2)17)10-8-13-20-16(18)11-6-7-12-19-3/h4,15H,1,5-13H2,2-3H3.
What are the key properties of 4-acetyloct-7-enyl 5-methoxypentanoate?
4-acetyloct-7-enyl 5-methoxypentanoate has a molecular weight of 284.40 g/mol, XLogP of 3.30, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyloct-7-enyl 5-methoxypentanoate is sourced from PubChem (CID 58838638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).