5-(3-ethoxy-3-oxopropoxy)-5-oxopentanoic acid

C10H16O6 — CID 150155538

IUPAC5-(3-ethoxy-3-oxopropoxy)-5-oxopentanoic acid
SMILESCCOC(=O)CCOC(=O)CCCC(=O)O
InChIInChI=1S/C10H16O6/c1-2-15-10(14)6-7-16-9(13)5-3-4-8(11)12/h2-7H2,1H3,(H,11,12)
InChIKeyFGDMGNVXZKFBHD-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.74
Rot. Bonds8

About 5-(3-ethoxy-3-oxopropoxy)-5-oxopentanoic acid

5-(3-ethoxy-3-oxopropoxy)-5-oxopentanoic acid (PubChem CID 150155538) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is 5-(3-ethoxy-3-oxopropoxy)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(3-ethoxy-3-oxopropoxy)-5-oxopentanoic acid
PubChem CID150155538
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name5-(3-ethoxy-3-oxopropoxy)-5-oxopentanoic acid
SMILESCCOC(=O)CCOC(=O)CCCC(=O)O
InChIInChI=1S/C10H16O6/c1-2-15-10(14)6-7-16-9(13)5-3-4-8(11)12/h2-7H2,1H3,(H,11,12)
InChIKeyFGDMGNVXZKFBHD-UHFFFAOYSA-N
XLogP0.74
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-(3-ethoxy-3-oxopropoxy)-9-oxononanoic acid
CID 152519011
5-ethoxy-5-oxopentanoic acid;pentanedioic acid
CID 161278417
23-ethoxy-23-oxotricosanoic acid
CID 67326593
21-ethoxy-21-oxohenicosanoic acid
CID 155487301
nonadecakis(decanoic acid);ethyl decanoate;octadecyl icosanoate
CID 175591452
ethyl octanoate;octanoic acid
CID 18625122
bis(dibutyl pentanedioate);hexanedioic acid
CID 174889262
5-ethoxy-5-oxopentaneperoxoic acid
CID 15430781
(3-ethoxy-3-oxopropyl) butanoate
CID 86150326
5-[6-(4-carboxybutanoyloxy)hexoxy]-5-oxopentanoic acid
CID 18380135
6-(2-ethoxyethoxy)-6-oxohexanoic acid
CID 22169586
5-decoxy-5-oxopentanoic acid
CID 53431398

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxy-3-oxopropoxy)-5-oxopentanoic acid?
The IUPAC name of 5-(3-ethoxy-3-oxopropoxy)-5-oxopentanoic acid (CID 150155538) is 5-(3-ethoxy-3-oxopropoxy)-5-oxopentanoic acid.
What is the SMILES notation for 5-(3-ethoxy-3-oxopropoxy)-5-oxopentanoic acid?
The canonical SMILES for 5-(3-ethoxy-3-oxopropoxy)-5-oxopentanoic acid is CCOC(=O)CCOC(=O)CCCC(=O)O.
What is the InChIKey of 5-(3-ethoxy-3-oxopropoxy)-5-oxopentanoic acid?
The InChIKey is FGDMGNVXZKFBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6/c1-2-15-10(14)6-7-16-9(13)5-3-4-8(11)12/h2-7H2,1H3,(H,11,12).
What are the key properties of 5-(3-ethoxy-3-oxopropoxy)-5-oxopentanoic acid?
5-(3-ethoxy-3-oxopropoxy)-5-oxopentanoic acid has a molecular weight of 232.23 g/mol, XLogP of 0.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxy-3-oxopropoxy)-5-oxopentanoic acid is sourced from PubChem (CID 150155538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).