9-(3-ethoxy-3-oxopropoxy)-9-oxononanoic acid

C14H24O6 — CID 152519011

IUPAC9-(3-ethoxy-3-oxopropoxy)-9-oxononanoic acid
SMILESCCOC(=O)CCOC(=O)CCCCCCCC(=O)O
InChIInChI=1S/C14H24O6/c1-2-19-14(18)10-11-20-13(17)9-7-5-3-4-6-8-12(15)16/h2-11H2,1H3,(H,15,16)
InChIKeyYHDBWBONABWZOO-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.30
Rot. Bonds12

About 9-(3-ethoxy-3-oxopropoxy)-9-oxononanoic acid

9-(3-ethoxy-3-oxopropoxy)-9-oxononanoic acid (PubChem CID 152519011) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 9-(3-ethoxy-3-oxopropoxy)-9-oxononanoic acid.

Molecular Properties

Compound Name9-(3-ethoxy-3-oxopropoxy)-9-oxononanoic acid
PubChem CID152519011
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name9-(3-ethoxy-3-oxopropoxy)-9-oxononanoic acid
SMILESCCOC(=O)CCOC(=O)CCCCCCCC(=O)O
InChIInChI=1S/C14H24O6/c1-2-19-14(18)10-11-20-13(17)9-7-5-3-4-6-8-12(15)16/h2-11H2,1H3,(H,15,16)
InChIKeyYHDBWBONABWZOO-UHFFFAOYSA-N
XLogP2.30
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3-ethoxy-3-oxopropoxy)-5-oxopentanoic acid
CID 150155538
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
5-ethoxy-5-oxopentanoic acid;pentanedioic acid
CID 161278417
diethyl icosanedioate
CID 5058538
decanedioic acid;dibutyl hexanedioate
CID 126582409
diethyl decanedioate;propanedioic acid
CID 174518023
7-[(7-ethoxy-7-oxoheptyl)diselanyl]heptanoic acid
CID 155670667
18-(9-carboxynonanoyloxy)octadecanoic acid
CID 87097649
diethyl hexanedioate
CID 160747628

Frequently Asked Questions

What is the IUPAC name of 9-(3-ethoxy-3-oxopropoxy)-9-oxononanoic acid?
The IUPAC name of 9-(3-ethoxy-3-oxopropoxy)-9-oxononanoic acid (CID 152519011) is 9-(3-ethoxy-3-oxopropoxy)-9-oxononanoic acid.
What is the SMILES notation for 9-(3-ethoxy-3-oxopropoxy)-9-oxononanoic acid?
The canonical SMILES for 9-(3-ethoxy-3-oxopropoxy)-9-oxononanoic acid is CCOC(=O)CCOC(=O)CCCCCCCC(=O)O.
What is the InChIKey of 9-(3-ethoxy-3-oxopropoxy)-9-oxononanoic acid?
The InChIKey is YHDBWBONABWZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-2-19-14(18)10-11-20-13(17)9-7-5-3-4-6-8-12(15)16/h2-11H2,1H3,(H,15,16).
What are the key properties of 9-(3-ethoxy-3-oxopropoxy)-9-oxononanoic acid?
9-(3-ethoxy-3-oxopropoxy)-9-oxononanoic acid has a molecular weight of 288.34 g/mol, XLogP of 2.30, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-ethoxy-3-oxopropoxy)-9-oxononanoic acid is sourced from PubChem (CID 152519011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).