(4Z)-2,5,9-trimethyldeca-4,8-dienal

C13H22O — CID 23337447

IUPAC(4Z)-2,5,9-trimethyldeca-4,8-dienal
SMILESCC(C)=CCC/C(C)=C\CC(C)C=O
InChIInChI=1S/C13H22O/c1-11(2)6-5-7-12(3)8-9-13(4)10-14/h6,8,10,13H,5,7,9H2,1-4H3/b12-8-
InChIKeyRJHZZDODPGGKJU-WQLSENKSSA-N
MW194.32 g/mol
LogP3.90
Rot. Bonds6

About (4Z)-2,5,9-trimethyldeca-4,8-dienal

(4Z)-2,5,9-trimethyldeca-4,8-dienal (PubChem CID 23337447) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (4Z)-2,5,9-trimethyldeca-4,8-dienal.

Molecular Properties

Compound Name(4Z)-2,5,9-trimethyldeca-4,8-dienal
PubChem CID23337447
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(4Z)-2,5,9-trimethyldeca-4,8-dienal
SMILESCC(C)=CCC/C(C)=C\CC(C)C=O
InChIInChI=1S/C13H22O/c1-11(2)6-5-7-12(3)8-9-13(4)10-14/h6,8,10,13H,5,7,9H2,1-4H3/b12-8-
InChIKeyRJHZZDODPGGKJU-WQLSENKSSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-2,5,9-trimethyldeca-4,8-dienal?
The IUPAC name of (4Z)-2,5,9-trimethyldeca-4,8-dienal (CID 23337447) is (4Z)-2,5,9-trimethyldeca-4,8-dienal.
What is the SMILES notation for (4Z)-2,5,9-trimethyldeca-4,8-dienal?
The canonical SMILES for (4Z)-2,5,9-trimethyldeca-4,8-dienal is CC(C)=CCC/C(C)=C\CC(C)C=O.
What is the InChIKey of (4Z)-2,5,9-trimethyldeca-4,8-dienal?
The InChIKey is RJHZZDODPGGKJU-WQLSENKSSA-N. The full InChI is InChI=1S/C13H22O/c1-11(2)6-5-7-12(3)8-9-13(4)10-14/h6,8,10,13H,5,7,9H2,1-4H3/b12-8-.
What are the key properties of (4Z)-2,5,9-trimethyldeca-4,8-dienal?
(4Z)-2,5,9-trimethyldeca-4,8-dienal has a molecular weight of 194.32 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2,5,9-trimethyldeca-4,8-dienal is sourced from PubChem (CID 23337447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).