8-ethoxy-6-oxooctanoic acid

C10H18O4 — CID 154310113

IUPAC8-ethoxy-6-oxooctanoic acid
SMILESCCOCCC(=O)CCCCC(=O)O
InChIInChI=1S/C10H18O4/c1-2-14-8-7-9(11)5-3-4-6-10(12)13/h2-8H2,1H3,(H,12,13)
InChIKeySBIUENHKIAQVPF-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.63
Rot. Bonds9

About 8-ethoxy-6-oxooctanoic acid

8-ethoxy-6-oxooctanoic acid (PubChem CID 154310113) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 8-ethoxy-6-oxooctanoic acid.

Molecular Properties

Compound Name8-ethoxy-6-oxooctanoic acid
PubChem CID154310113
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name8-ethoxy-6-oxooctanoic acid
SMILESCCOCCC(=O)CCCCC(=O)O
InChIInChI=1S/C10H18O4/c1-2-14-8-7-9(11)5-3-4-6-10(12)13/h2-8H2,1H3,(H,12,13)
InChIKeySBIUENHKIAQVPF-UHFFFAOYSA-N
XLogP1.63
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,9-diethoxynonan-5-one
CID 150666797
7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid
CID 23631652
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
3-ethoxypropan-1-ol;octadecanoic acid
CID 174469780
6-(2-ethoxyethoxy)-6-oxohexanoic acid
CID 22169586
6-oxononanoic acid
CID 5282981
6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoic acid
CID 175579111
benzene;3-(2-ethoxyethoxy)propanoic acid
CID 174652454
9-ethoxynonane-2,5-dione
CID 13027943
6-[4-(4-ethoxybutoxy)butoxy]-6-oxohexanoic acid
CID 87459786
7-oxopentadecanoic acid
CID 14454467
(2R)-2-[6-(2-ethoxyethoxy)-3-oxohexyl]-4-oxohenicosanedioic acid
CID 158277924

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-6-oxooctanoic acid?
The IUPAC name of 8-ethoxy-6-oxooctanoic acid (CID 154310113) is 8-ethoxy-6-oxooctanoic acid.
What is the SMILES notation for 8-ethoxy-6-oxooctanoic acid?
The canonical SMILES for 8-ethoxy-6-oxooctanoic acid is CCOCCC(=O)CCCCC(=O)O.
What is the InChIKey of 8-ethoxy-6-oxooctanoic acid?
The InChIKey is SBIUENHKIAQVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-2-14-8-7-9(11)5-3-4-6-10(12)13/h2-8H2,1H3,(H,12,13).
What are the key properties of 8-ethoxy-6-oxooctanoic acid?
8-ethoxy-6-oxooctanoic acid has a molecular weight of 202.25 g/mol, XLogP of 1.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-6-oxooctanoic acid is sourced from PubChem (CID 154310113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).