5-ethoxy-5-oxopentanoic acid;pentanedioic acid

C12H20O8 — CID 161278417

IUPAC5-ethoxy-5-oxopentanoic acid;pentanedioic acid
SMILESCCOC(=O)CCCC(=O)O.O=C(O)CCCC(=O)O
InChIInChI=1S/C7H12O4.C5H8O4/c1-2-11-7(10)5-3-4-6(8)9;6-4(7)2-1-3-5(8)9/h2-5H2,1H3,(H,8,9);1-3H2,(H,6,7)(H,8,9)
InChIKeyVETCHFHNUPWTDL-UHFFFAOYSA-N
MW292.28 g/mol
LogP1.13
Rot. Bonds9

About 5-ethoxy-5-oxopentanoic acid;pentanedioic acid

5-ethoxy-5-oxopentanoic acid;pentanedioic acid (PubChem CID 161278417) has the molecular formula C12H20O8 and a molecular weight of 292.28 g/mol. Its IUPAC name is 5-ethoxy-5-oxopentanoic acid;pentanedioic acid.

Molecular Properties

Compound Name5-ethoxy-5-oxopentanoic acid;pentanedioic acid
PubChem CID161278417
Molecular FormulaC12H20O8
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Name5-ethoxy-5-oxopentanoic acid;pentanedioic acid
SMILESCCOC(=O)CCCC(=O)O.O=C(O)CCCC(=O)O
InChIInChI=1S/C7H12O4.C5H8O4/c1-2-11-7(10)5-3-4-6(8)9;6-4(7)2-1-3-5(8)9/h2-5H2,1H3,(H,8,9);1-3H2,(H,6,7)(H,8,9)
InChIKeyVETCHFHNUPWTDL-UHFFFAOYSA-N
XLogP1.13
TPSA138.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

23-ethoxy-23-oxotricosanoic acid
CID 67326593
21-ethoxy-21-oxohenicosanoic acid
CID 155487301
5-(3-ethoxy-3-oxopropoxy)-5-oxopentanoic acid
CID 150155538
ethyl octanoate;octanoic acid
CID 18625122
9-(3-ethoxy-3-oxopropoxy)-9-oxononanoic acid
CID 152519011
diethyl hexanedioate
CID 160747628
5-[(4-ethoxy-4-oxobutyl)amino]-5-oxopentanoic acid
CID 64576360
7-[(7-ethoxy-7-oxoheptyl)diselanyl]heptanoic acid
CID 155670667
diethyl icosanedioate
CID 5058538
4-ethoxy-4-oxobutanoic acid;hexane
CID 87078954
diethyl decanedioate;propanedioic acid
CID 174518023
nonadecakis(decanoic acid);ethyl decanoate;octadecyl icosanoate
CID 175591452

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-5-oxopentanoic acid;pentanedioic acid?
The IUPAC name of 5-ethoxy-5-oxopentanoic acid;pentanedioic acid (CID 161278417) is 5-ethoxy-5-oxopentanoic acid;pentanedioic acid.
What is the SMILES notation for 5-ethoxy-5-oxopentanoic acid;pentanedioic acid?
The canonical SMILES for 5-ethoxy-5-oxopentanoic acid;pentanedioic acid is CCOC(=O)CCCC(=O)O.O=C(O)CCCC(=O)O.
What is the InChIKey of 5-ethoxy-5-oxopentanoic acid;pentanedioic acid?
The InChIKey is VETCHFHNUPWTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4.C5H8O4/c1-2-11-7(10)5-3-4-6(8)9;6-4(7)2-1-3-5(8)9/h2-5H2,1H3,(H,8,9);1-3H2,(H,6,7)(H,8,9).
What are the key properties of 5-ethoxy-5-oxopentanoic acid;pentanedioic acid?
5-ethoxy-5-oxopentanoic acid;pentanedioic acid has a molecular weight of 292.28 g/mol, XLogP of 1.13, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-5-oxopentanoic acid;pentanedioic acid is sourced from PubChem (CID 161278417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).