11-ethenoxy-11-oxoundecanoic acid

C13H22O4 — CID 139682785

IUPAC11-ethenoxy-11-oxoundecanoic acid
SMILESC=COC(=O)CCCCCCCCCC(=O)O
InChIInChI=1S/C13H22O4/c1-2-17-13(16)11-9-7-5-3-4-6-8-10-12(14)15/h2H,1,3-11H2,(H,14,15)
InChIKeyUCJYPKHNSNURSG-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.27
Rot. Bonds11

About 11-ethenoxy-11-oxoundecanoic acid

11-ethenoxy-11-oxoundecanoic acid (PubChem CID 139682785) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is 11-ethenoxy-11-oxoundecanoic acid.

Molecular Properties

Compound Name11-ethenoxy-11-oxoundecanoic acid
PubChem CID139682785
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name11-ethenoxy-11-oxoundecanoic acid
SMILESC=COC(=O)CCCCCCCCCC(=O)O
InChIInChI=1S/C13H22O4/c1-2-17-13(16)11-9-7-5-3-4-6-8-10-12(14)15/h2H,1,3-11H2,(H,14,15)
InChIKeyUCJYPKHNSNURSG-UHFFFAOYSA-N
XLogP3.27
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

30-ethenoxy-30-oxotriacontanoic acid
CID 139682683
45-ethenoxy-45-oxopentatetracontanoic acid
CID 139682706
bis(ethenyl) hexanedioate
CID 19997
acetic acid;bis(ethenyl) dodecanedioate
CID 174577990
ethenyl 16-hydroxyhexadecanoate
CID 88593683
ethenyl 6-hydroxyhexanoate
CID 88593109
ethenyl octacosanoate
CID 54439588
ethenyl heptatriacontanoate
CID 139682782
ethenyl tetracontanoate
CID 139682936
8-oxo-8-prop-2-enoxyoctanoic acid
CID 71357331
ethenyl henpentacontanoate
CID 139683011
acetic acid;ethenyl octadecanoate
CID 87067593

Frequently Asked Questions

What is the IUPAC name of 11-ethenoxy-11-oxoundecanoic acid?
The IUPAC name of 11-ethenoxy-11-oxoundecanoic acid (CID 139682785) is 11-ethenoxy-11-oxoundecanoic acid.
What is the SMILES notation for 11-ethenoxy-11-oxoundecanoic acid?
The canonical SMILES for 11-ethenoxy-11-oxoundecanoic acid is C=COC(=O)CCCCCCCCCC(=O)O.
What is the InChIKey of 11-ethenoxy-11-oxoundecanoic acid?
The InChIKey is UCJYPKHNSNURSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-2-17-13(16)11-9-7-5-3-4-6-8-10-12(14)15/h2H,1,3-11H2,(H,14,15).
What are the key properties of 11-ethenoxy-11-oxoundecanoic acid?
11-ethenoxy-11-oxoundecanoic acid has a molecular weight of 242.31 g/mol, XLogP of 3.27, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethenoxy-11-oxoundecanoic acid is sourced from PubChem (CID 139682785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).