5-oxo-5-undec-10-enoxypentanoic acid

C16H28O4 — CID 11778631

IUPAC5-oxo-5-undec-10-enoxypentanoic acid
SMILESC=CCCCCCCCCCOC(=O)CCCC(=O)O
InChIInChI=1S/C16H28O4/c1-2-3-4-5-6-7-8-9-10-14-20-16(19)13-11-12-15(17)18/h2H,1,3-14H2,(H,17,18)
InChIKeyFJZKZHVKJBEZLJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.09
Rot. Bonds14

About 5-oxo-5-undec-10-enoxypentanoic acid

5-oxo-5-undec-10-enoxypentanoic acid (PubChem CID 11778631) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-oxo-5-undec-10-enoxypentanoic acid.

Molecular Properties

Compound Name5-oxo-5-undec-10-enoxypentanoic acid
PubChem CID11778631
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name5-oxo-5-undec-10-enoxypentanoic acid
SMILESC=CCCCCCCCCCOC(=O)CCCC(=O)O
InChIInChI=1S/C16H28O4/c1-2-3-4-5-6-7-8-9-10-14-20-16(19)13-11-12-15(17)18/h2H,1,3-14H2,(H,17,18)
InChIKeyFJZKZHVKJBEZLJ-UHFFFAOYSA-N
XLogP4.09
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[6-(4-carboxybutanoyloxy)hexoxy]-5-oxopentanoic acid
CID 18380135
undec-10-enyl 7-undec-10-enoxyheptanoate
CID 140771622
2-dec-9-enoyloxyethyl dec-9-enoate
CID 153465043
bis(pent-4-enyl) decanedioate
CID 91694638
1-O-heptadecyl 5-O-pent-4-enyl pentanedioate
CID 91706418
hexyl oct-7-enoate
CID 91748282
heptyl hept-6-enoate
CID 129220829
hept-6-enyl nonanoate
CID 146588194
hex-5-enyl decanoate
CID 166881880
hept-6-enyl hexacosanoate
CID 102118795
18-(9-carboxynonanoyloxy)octadecanoic acid
CID 87097649
ethane;hexyl dec-9-enoate
CID 142461660

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-undec-10-enoxypentanoic acid?
The IUPAC name of 5-oxo-5-undec-10-enoxypentanoic acid (CID 11778631) is 5-oxo-5-undec-10-enoxypentanoic acid.
What is the SMILES notation for 5-oxo-5-undec-10-enoxypentanoic acid?
The canonical SMILES for 5-oxo-5-undec-10-enoxypentanoic acid is C=CCCCCCCCCCOC(=O)CCCC(=O)O.
What is the InChIKey of 5-oxo-5-undec-10-enoxypentanoic acid?
The InChIKey is FJZKZHVKJBEZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-2-3-4-5-6-7-8-9-10-14-20-16(19)13-11-12-15(17)18/h2H,1,3-14H2,(H,17,18).
What are the key properties of 5-oxo-5-undec-10-enoxypentanoic acid?
5-oxo-5-undec-10-enoxypentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 4.09, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-undec-10-enoxypentanoic acid is sourced from PubChem (CID 11778631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).