4-hydroxydodeca-2,6-dienal

C12H20O2 — CID 71340423

IUPAC4-hydroxydodeca-2,6-dienal
SMILESCCCCCC=CCC(O)C=CC=O
InChIInChI=1S/C12H20O2/c1-2-3-4-5-6-7-9-12(14)10-8-11-13/h6-8,10-12,14H,2-5,9H2,1H3
InChIKeyWEAMGMCWEBWVAT-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.63
Rot. Bonds8

About 4-hydroxydodeca-2,6-dienal

4-hydroxydodeca-2,6-dienal (PubChem CID 71340423) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-hydroxydodeca-2,6-dienal.

Molecular Properties

Compound Name4-hydroxydodeca-2,6-dienal
PubChem CID71340423
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name4-hydroxydodeca-2,6-dienal
SMILESCCCCCC=CCC(O)C=CC=O
InChIInChI=1S/C12H20O2/c1-2-3-4-5-6-7-9-12(14)10-8-11-13/h6-8,10-12,14H,2-5,9H2,1H3
InChIKeyWEAMGMCWEBWVAT-UHFFFAOYSA-N
XLogP2.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxydodeca-2,6-dienal?
The IUPAC name of 4-hydroxydodeca-2,6-dienal (CID 71340423) is 4-hydroxydodeca-2,6-dienal.
What is the SMILES notation for 4-hydroxydodeca-2,6-dienal?
The canonical SMILES for 4-hydroxydodeca-2,6-dienal is CCCCCC=CCC(O)C=CC=O.
What is the InChIKey of 4-hydroxydodeca-2,6-dienal?
The InChIKey is WEAMGMCWEBWVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-3-4-5-6-7-9-12(14)10-8-11-13/h6-8,10-12,14H,2-5,9H2,1H3.
What are the key properties of 4-hydroxydodeca-2,6-dienal?
4-hydroxydodeca-2,6-dienal has a molecular weight of 196.29 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxydodeca-2,6-dienal is sourced from PubChem (CID 71340423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).