4,9-dioxodecanoic acid

C10H16O4 — CID 87255764

IUPAC4,9-dioxodecanoic acid
SMILESCC(=O)CCCCC(=O)CCC(=O)O
InChIInChI=1S/C10H16O4/c1-8(11)4-2-3-5-9(12)6-7-10(13)14/h2-7H2,1H3,(H,13,14)
InChIKeyMNNBIBYGDDBGMT-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.57
Rot. Bonds8

About 4,9-dioxodecanoic acid

4,9-dioxodecanoic acid (PubChem CID 87255764) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 4,9-dioxodecanoic acid.

Molecular Properties

Compound Name4,9-dioxodecanoic acid
PubChem CID87255764
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name4,9-dioxodecanoic acid
SMILESCC(=O)CCCCC(=O)CCC(=O)O
InChIInChI=1S/C10H16O4/c1-8(11)4-2-3-5-9(12)6-7-10(13)14/h2-7H2,1H3,(H,13,14)
InChIKeyMNNBIBYGDDBGMT-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'}

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Related Compounds

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tricosane-2,6,10,14,18,22-hexone
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CID 91087282
4,7-dioxoundecanoic acid
CID 165359282
1-hydroxyoctane-2,7-dione
CID 19604643
5,8,11,14-tetraoxooctadecanedioic acid
CID 57306200
4-oxopentanoic acid;zinc
CID 87190982
CID 59964377
CID 59964377
9-hydroxy-4-oxononanoic acid
CID 159708655
pentadecane-2,7-dione
CID 15360002
pentadecane-2,7,13-trione
CID 154620463
8,13-dioxo-13-(6-oxoheptylamino)tridecanoic acid
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Frequently Asked Questions

What is the IUPAC name of 4,9-dioxodecanoic acid?
The IUPAC name of 4,9-dioxodecanoic acid (CID 87255764) is 4,9-dioxodecanoic acid.
What is the SMILES notation for 4,9-dioxodecanoic acid?
The canonical SMILES for 4,9-dioxodecanoic acid is CC(=O)CCCCC(=O)CCC(=O)O.
What is the InChIKey of 4,9-dioxodecanoic acid?
The InChIKey is MNNBIBYGDDBGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-8(11)4-2-3-5-9(12)6-7-10(13)14/h2-7H2,1H3,(H,13,14).
What are the key properties of 4,9-dioxodecanoic acid?
4,9-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 4,9-dioxodecanoic acid is sourced from PubChem (CID 87255764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).