5-[2-(2-methylprop-1-enoxy)ethoxy]-5-oxopentanoic acid

C11H18O5 — CID 150693955

IUPAC5-[2-(2-methylprop-1-enoxy)ethoxy]-5-oxopentanoic acid
SMILESCC(C)=COCCOC(=O)CCCC(=O)O
InChIInChI=1S/C11H18O5/c1-9(2)8-15-6-7-16-11(14)5-3-4-10(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyJKLSFPDDFYQEIC-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.72
Rot. Bonds8

About 5-[2-(2-methylprop-1-enoxy)ethoxy]-5-oxopentanoic acid

5-[2-(2-methylprop-1-enoxy)ethoxy]-5-oxopentanoic acid (PubChem CID 150693955) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is 5-[2-(2-methylprop-1-enoxy)ethoxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(2-methylprop-1-enoxy)ethoxy]-5-oxopentanoic acid
PubChem CID150693955
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name5-[2-(2-methylprop-1-enoxy)ethoxy]-5-oxopentanoic acid
SMILESCC(C)=COCCOC(=O)CCCC(=O)O
InChIInChI=1S/C11H18O5/c1-9(2)8-15-6-7-16-11(14)5-3-4-10(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyJKLSFPDDFYQEIC-UHFFFAOYSA-N
XLogP1.72
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.72
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

4-oxo-4-[2-(2-sulfanylprop-1-enoxy)ethoxy]butanoic acid
CID 150156631
5-[6-(4-carboxybutanoyloxy)hexoxy]-5-oxopentanoic acid
CID 18380135
14-(2-methoxyethoxy)-14-oxotetradecanoic acid
CID 174560231
6-[2-[2-(5-carboxypentanoyloxy)ethoxy]ethoxy]-6-oxohexanoic acid
CID 88544057
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-(3-ethoxy-3-oxopropoxy)-5-oxopentanoic acid
CID 150155538
bis(dibutyl pentanedioate);hexanedioic acid
CID 174889262
5-decoxy-5-oxopentanoic acid
CID 53431398
6-(2-ethoxyethoxy)-6-oxohexanoic acid
CID 22169586
5-[2-[2,2-bis[2-(4-carboxybutanoyloxy)ethoxymethyl]-3-[2-(4-formyloxybutanoyloxy)ethoxy]propoxy]ethoxy]-5-oxopentanoic acid
CID 59663978
18-(9-carboxynonanoyloxy)octadecanoic acid
CID 87097649
5-ethoxy-5-oxopentanoic acid;pentanedioic acid
CID 161278417

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylprop-1-enoxy)ethoxy]-5-oxopentanoic acid?
The IUPAC name of 5-[2-(2-methylprop-1-enoxy)ethoxy]-5-oxopentanoic acid (CID 150693955) is 5-[2-(2-methylprop-1-enoxy)ethoxy]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(2-methylprop-1-enoxy)ethoxy]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(2-methylprop-1-enoxy)ethoxy]-5-oxopentanoic acid is CC(C)=COCCOC(=O)CCCC(=O)O.
What is the InChIKey of 5-[2-(2-methylprop-1-enoxy)ethoxy]-5-oxopentanoic acid?
The InChIKey is JKLSFPDDFYQEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-9(2)8-15-6-7-16-11(14)5-3-4-10(12)13/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 5-[2-(2-methylprop-1-enoxy)ethoxy]-5-oxopentanoic acid?
5-[2-(2-methylprop-1-enoxy)ethoxy]-5-oxopentanoic acid has a molecular weight of 230.26 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylprop-1-enoxy)ethoxy]-5-oxopentanoic acid is sourced from PubChem (CID 150693955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).