(E)-3,5-dioxoundec-6-enoic acid

C11H16O4 — CID 88837244

IUPAC(E)-3,5-dioxoundec-6-enoic acid
SMILESCCCC/C=C/C(=O)CC(=O)CC(=O)O
InChIInChI=1S/C11H16O4/c1-2-3-4-5-6-9(12)7-10(13)8-11(14)15/h5-6H,2-4,7-8H2,1H3,(H,14,15)/b6-5+
InChIKeyMSCOKOQJFMGUEM-AATRIKPKSA-N
MW212.24 g/mol
LogP1.74
Rot. Bonds8

About (E)-3,5-dioxoundec-6-enoic acid

(E)-3,5-dioxoundec-6-enoic acid (PubChem CID 88837244) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is (E)-3,5-dioxoundec-6-enoic acid.

Molecular Properties

Compound Name(E)-3,5-dioxoundec-6-enoic acid
PubChem CID88837244
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(E)-3,5-dioxoundec-6-enoic acid
SMILESCCCC/C=C/C(=O)CC(=O)CC(=O)O
InChIInChI=1S/C11H16O4/c1-2-3-4-5-6-9(12)7-10(13)8-11(14)15/h5-6H,2-4,7-8H2,1H3,(H,14,15)/b6-5+
InChIKeyMSCOKOQJFMGUEM-AATRIKPKSA-N
XLogP1.74
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.74
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3,5-dioxoundec-6-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3,5-dioxoundec-6-enoic acid?
The IUPAC name of (E)-3,5-dioxoundec-6-enoic acid (CID 88837244) is (E)-3,5-dioxoundec-6-enoic acid.
What is the SMILES notation for (E)-3,5-dioxoundec-6-enoic acid?
The canonical SMILES for (E)-3,5-dioxoundec-6-enoic acid is CCCC/C=C/C(=O)CC(=O)CC(=O)O.
What is the InChIKey of (E)-3,5-dioxoundec-6-enoic acid?
The InChIKey is MSCOKOQJFMGUEM-AATRIKPKSA-N. The full InChI is InChI=1S/C11H16O4/c1-2-3-4-5-6-9(12)7-10(13)8-11(14)15/h5-6H,2-4,7-8H2,1H3,(H,14,15)/b6-5+.
What are the key properties of (E)-3,5-dioxoundec-6-enoic acid?
(E)-3,5-dioxoundec-6-enoic acid has a molecular weight of 212.24 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,5-dioxoundec-6-enoic acid is sourced from PubChem (CID 88837244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).