8-oxo-8-prop-2-enoxyoctanoic acid

C11H18O4 — CID 71357331

IUPAC8-oxo-8-prop-2-enoxyoctanoic acid
SMILESC=CCOC(=O)CCCCCCC(=O)O
InChIInChI=1S/C11H18O4/c1-2-9-15-11(14)8-6-4-3-5-7-10(12)13/h2H,1,3-9H2,(H,12,13)
InChIKeyJVXFRHAKRQGELK-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.14
Rot. Bonds9

About 8-oxo-8-prop-2-enoxyoctanoic acid

8-oxo-8-prop-2-enoxyoctanoic acid (PubChem CID 71357331) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 8-oxo-8-prop-2-enoxyoctanoic acid.

Molecular Properties

Compound Name8-oxo-8-prop-2-enoxyoctanoic acid
PubChem CID71357331
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name8-oxo-8-prop-2-enoxyoctanoic acid
SMILESC=CCOC(=O)CCCCCCC(=O)O
InChIInChI=1S/C11H18O4/c1-2-9-15-11(14)8-6-4-3-5-7-10(12)13/h2H,1,3-9H2,(H,12,13)
InChIKeyJVXFRHAKRQGELK-UHFFFAOYSA-N
XLogP2.14
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.14
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

10-O-ethenyl 1-O-prop-2-enyl decanedioate
CID 87433585
prop-2-enyl pentadecanoate
CID 87531612
prop-2-enyl tridecanoate
CID 91752122
30-ethenoxy-30-oxotriacontanoic acid
CID 139682683
11-ethenoxy-11-oxoundecanoic acid
CID 139682785
45-ethenoxy-45-oxopentatetracontanoic acid
CID 139682706
9-(8-carboxyoctanoyloxymethoxy)-9-oxononanoic acid
CID 87582050
bis(prop-2-enyl) but-2-enedioate;bis(prop-2-enyl) hexanedioate
CID 173434680
prop-2-enyl 4-hydroxybutanoate
CID 11367059
prop-2-enyl 7,7-dimethyloctanoate
CID 87357056
prop-2-enyl 6-formamidohexanoate
CID 12006461
decanedioic acid;3-methoxyprop-1-ene
CID 175934270

Frequently Asked Questions

What is the IUPAC name of 8-oxo-8-prop-2-enoxyoctanoic acid?
The IUPAC name of 8-oxo-8-prop-2-enoxyoctanoic acid (CID 71357331) is 8-oxo-8-prop-2-enoxyoctanoic acid.
What is the SMILES notation for 8-oxo-8-prop-2-enoxyoctanoic acid?
The canonical SMILES for 8-oxo-8-prop-2-enoxyoctanoic acid is C=CCOC(=O)CCCCCCC(=O)O.
What is the InChIKey of 8-oxo-8-prop-2-enoxyoctanoic acid?
The InChIKey is JVXFRHAKRQGELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-2-9-15-11(14)8-6-4-3-5-7-10(12)13/h2H,1,3-9H2,(H,12,13).
What are the key properties of 8-oxo-8-prop-2-enoxyoctanoic acid?
8-oxo-8-prop-2-enoxyoctanoic acid has a molecular weight of 214.26 g/mol, XLogP of 2.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-8-prop-2-enoxyoctanoic acid is sourced from PubChem (CID 71357331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).