2,4-dioxodecanoic acid

C10H16O4 — CID 21475711

IUPAC2,4-dioxodecanoic acid
SMILESCCCCCCC(=O)CC(=O)C(=O)O
InChIInChI=1S/C10H16O4/c1-2-3-4-5-6-8(11)7-9(12)10(13)14/h2-7H2,1H3,(H,13,14)
InChIKeyUUUQYPPQWMUNDH-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.57
Rot. Bonds8

About 2,4-dioxodecanoic acid

2,4-dioxodecanoic acid (PubChem CID 21475711) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2,4-dioxodecanoic acid.

Molecular Properties

Compound Name2,4-dioxodecanoic acid
PubChem CID21475711
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2,4-dioxodecanoic acid
SMILESCCCCCCC(=O)CC(=O)C(=O)O
InChIInChI=1S/C10H16O4/c1-2-3-4-5-6-8(11)7-9(12)10(13)14/h2-7H2,1H3,(H,13,14)
InChIKeyUUUQYPPQWMUNDH-UHFFFAOYSA-N
XLogP1.57
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

heptacosane-10,12-dione
CID 14235516
2,4-dioxoheptanoic acid
CID 23169167
2-oxotricosanoic acid
CID 5312932
2-oxoheptadecanoic acid
CID 5312901
3-oxotriacontanoate
CID 171037411
16,18-dioxoheptacosanoic acid
CID 101056958
chromium;2-oxooctanoic acid
CID 174981458
alumane;2-oxononadecanoic acid
CID 174495213
2-hexyl-3-(2-oxooctyl)but-2-enedioic acid
CID 91216022
aluminum tris(3-oxohexadecanoate)
CID 157124635
sodium 3-oxooctadecanoate
CID 155047798
aluminum tris(3-oxotridecanoate)
CID 23498356

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxodecanoic acid?
The IUPAC name of 2,4-dioxodecanoic acid (CID 21475711) is 2,4-dioxodecanoic acid.
What is the SMILES notation for 2,4-dioxodecanoic acid?
The canonical SMILES for 2,4-dioxodecanoic acid is CCCCCCC(=O)CC(=O)C(=O)O.
What is the InChIKey of 2,4-dioxodecanoic acid?
The InChIKey is UUUQYPPQWMUNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-2-3-4-5-6-8(11)7-9(12)10(13)14/h2-7H2,1H3,(H,13,14).
What are the key properties of 2,4-dioxodecanoic acid?
2,4-dioxodecanoic acid has a molecular weight of 200.23 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxodecanoic acid is sourced from PubChem (CID 21475711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).