2-oxododecanedial

C12H20O3 — CID 175394430

IUPAC2-oxododecanedial
SMILESO=CCCCCCCCCCC(=O)C=O
InChIInChI=1S/C12H20O3/c13-10-8-6-4-2-1-3-5-7-9-12(15)11-14/h10-11H,1-9H2
InChIKeyVLCDKQPNMNRVQE-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.46
Rot. Bonds11

About 2-oxododecanedial

2-oxododecanedial (PubChem CID 175394430) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-oxododecanedial.

Molecular Properties

Compound Name2-oxododecanedial
PubChem CID175394430
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-oxododecanedial
SMILESO=CCCCCCCCCCC(=O)C=O
InChIInChI=1S/C12H20O3/c13-10-8-6-4-2-1-3-5-7-9-12(15)11-14/h10-11H,1-9H2
InChIKeyVLCDKQPNMNRVQE-UHFFFAOYSA-N
XLogP2.46
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-oxododecanedial with MolForge

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

Launch Full Analysis

Related Compounds

12-oxododecanamide
CID 54019408
7-hydroxy-2-oxoheptanal
CID 19737750
17-oxoheptadecanamide
CID 54112129
N-methyl-18-oxooctadecanamide
CID 145081820
18-oxooctadecanoyl iodide
CID 88943662
9-oxononanoate
CID 21270557
11-oxoundecanoyl chloride
CID 56995388
4,5-dioxoheptadecanedial
CID 172835159
pentadecanedial
CID 22887412
bis(6-oxohexanoyl) dodecanedioate
CID 57274603
N-methoxy-9-oxononanamide
CID 144851599
6,19-dioxononadecanoic acid
CID 174486192

Frequently Asked Questions

What is the IUPAC name of 2-oxododecanedial?
The IUPAC name of 2-oxododecanedial (CID 175394430) is 2-oxododecanedial.
What is the SMILES notation for 2-oxododecanedial?
The canonical SMILES for 2-oxododecanedial is O=CCCCCCCCCCC(=O)C=O.
What is the InChIKey of 2-oxododecanedial?
The InChIKey is VLCDKQPNMNRVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c13-10-8-6-4-2-1-3-5-7-9-12(15)11-14/h10-11H,1-9H2.
What are the key properties of 2-oxododecanedial?
2-oxododecanedial has a molecular weight of 212.29 g/mol, XLogP of 2.46, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxododecanedial is sourced from PubChem (CID 175394430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).