8-(4-ethenoxybutoxy)-8-oxooctanoic acid

C14H24O5 — CID 175367691

IUPAC8-(4-ethenoxybutoxy)-8-oxooctanoic acid
SMILESC=COCCCCOC(=O)CCCCCCC(=O)O
InChIInChI=1S/C14H24O5/c1-2-18-11-7-8-12-19-14(17)10-6-4-3-5-9-13(15)16/h2H,1,3-12H2,(H,15,16)
InChIKeyUXVFAIGFKUXYFE-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.90
Rot. Bonds13

About 8-(4-ethenoxybutoxy)-8-oxooctanoic acid

8-(4-ethenoxybutoxy)-8-oxooctanoic acid (PubChem CID 175367691) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is 8-(4-ethenoxybutoxy)-8-oxooctanoic acid.

Molecular Properties

Compound Name8-(4-ethenoxybutoxy)-8-oxooctanoic acid
PubChem CID175367691
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name8-(4-ethenoxybutoxy)-8-oxooctanoic acid
SMILESC=COCCCCOC(=O)CCCCCCC(=O)O
InChIInChI=1S/C14H24O5/c1-2-18-11-7-8-12-19-14(17)10-6-4-3-5-9-13(15)16/h2H,1,3-12H2,(H,15,16)
InChIKeyUXVFAIGFKUXYFE-UHFFFAOYSA-N
XLogP2.90
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(6-ethenoxyhexyl) pentanedioate
CID 90256894
18-(9-carboxynonanoyloxy)octadecanoic acid
CID 87097649
6-[4-[6-[4-[6-[4-[6-[4-[6-[4-[6-[4-(5-carboxypentanoyloxy)butoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoic acid
CID 102514507
5-[6-(4-carboxybutanoyloxy)hexoxy]-5-oxopentanoic acid
CID 18380135
5-oxo-5-undec-10-enoxypentanoic acid
CID 11778631
6-[4-[4-[4-[4-[4-(3-carboxypropanoyloxy)butoxy]-4-oxobutanoyl]oxybutoxy]-4-oxobutanoyl]oxybutoxy]-6-oxohexanoic acid
CID 101096929
15-(15-hydroxypentadecanoyloxy)pentadecanoic acid
CID 5204801
5-(6-hydroxyhexanoyloxy)pentanoic acid
CID 87986375
6-[6-[6-[6-[6-[6-[6-[6-[6-(6-hydroxyhexanoyloxy)hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoic acid
CID 88979293
7-(7-hydroxyheptanoyloxy)heptanoic acid
CID 90997926
8-(7-hydroxyheptoxy)-8-oxooctanoic acid
CID 162853093
6-[4-(5-carboxypentanoyloxy)butoxy]-6-oxohexanoic acid;ethane-1,2-diol
CID 87078345

Frequently Asked Questions

What is the IUPAC name of 8-(4-ethenoxybutoxy)-8-oxooctanoic acid?
The IUPAC name of 8-(4-ethenoxybutoxy)-8-oxooctanoic acid (CID 175367691) is 8-(4-ethenoxybutoxy)-8-oxooctanoic acid.
What is the SMILES notation for 8-(4-ethenoxybutoxy)-8-oxooctanoic acid?
The canonical SMILES for 8-(4-ethenoxybutoxy)-8-oxooctanoic acid is C=COCCCCOC(=O)CCCCCCC(=O)O.
What is the InChIKey of 8-(4-ethenoxybutoxy)-8-oxooctanoic acid?
The InChIKey is UXVFAIGFKUXYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-2-18-11-7-8-12-19-14(17)10-6-4-3-5-9-13(15)16/h2H,1,3-12H2,(H,15,16).
What are the key properties of 8-(4-ethenoxybutoxy)-8-oxooctanoic acid?
8-(4-ethenoxybutoxy)-8-oxooctanoic acid has a molecular weight of 272.34 g/mol, XLogP of 2.90, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-ethenoxybutoxy)-8-oxooctanoic acid is sourced from PubChem (CID 175367691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).