2-acetyl-2-methyldeca-4,9-dienal

C13H20O2 — CID 154158750

IUPAC2-acetyl-2-methyldeca-4,9-dienal
SMILESC=CCCCC=CCC(C)(C=O)C(C)=O
InChIInChI=1S/C13H20O2/c1-4-5-6-7-8-9-10-13(3,11-14)12(2)15/h4,8-9,11H,1,5-7,10H2,2-3H3
InChIKeyWYZCBRQKJSJIAB-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.08
Rot. Bonds8

About 2-acetyl-2-methyldeca-4,9-dienal

2-acetyl-2-methyldeca-4,9-dienal (PubChem CID 154158750) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-acetyl-2-methyldeca-4,9-dienal.

Molecular Properties

Compound Name2-acetyl-2-methyldeca-4,9-dienal
PubChem CID154158750
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-acetyl-2-methyldeca-4,9-dienal
SMILESC=CCCCC=CCC(C)(C=O)C(C)=O
InChIInChI=1S/C13H20O2/c1-4-5-6-7-8-9-10-13(3,11-14)12(2)15/h4,8-9,11H,1,5-7,10H2,2-3H3
InChIKeyWYZCBRQKJSJIAB-UHFFFAOYSA-N
XLogP3.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
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': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-2-methyldeca-4,9-dienal?
The IUPAC name of 2-acetyl-2-methyldeca-4,9-dienal (CID 154158750) is 2-acetyl-2-methyldeca-4,9-dienal.
What is the SMILES notation for 2-acetyl-2-methyldeca-4,9-dienal?
The canonical SMILES for 2-acetyl-2-methyldeca-4,9-dienal is C=CCCCC=CCC(C)(C=O)C(C)=O.
What is the InChIKey of 2-acetyl-2-methyldeca-4,9-dienal?
The InChIKey is WYZCBRQKJSJIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-5-6-7-8-9-10-13(3,11-14)12(2)15/h4,8-9,11H,1,5-7,10H2,2-3H3.
What are the key properties of 2-acetyl-2-methyldeca-4,9-dienal?
2-acetyl-2-methyldeca-4,9-dienal has a molecular weight of 208.30 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-2-methyldeca-4,9-dienal is sourced from PubChem (CID 154158750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).