4,9-dimethyldodeca-2,4,6,8,10-pentaenedial

C14H16O2 — CID 25200600

IUPAC4,9-dimethyldodeca-2,4,6,8,10-pentaenedial
SMILESCC(C=CC=O)=CC=CC=C(C)C=CC=O
InChIInChI=1S/C14H16O2/c1-13(9-5-11-15)7-3-4-8-14(2)10-6-12-16/h3-12H,1-2H3
InChIKeyQXJSYJRWEUENRT-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.95
Rot. Bonds6

About 4,9-dimethyldodeca-2,4,6,8,10-pentaenedial

4,9-dimethyldodeca-2,4,6,8,10-pentaenedial (PubChem CID 25200600) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4,9-dimethyldodeca-2,4,6,8,10-pentaenedial.

Molecular Properties

Compound Name4,9-dimethyldodeca-2,4,6,8,10-pentaenedial
PubChem CID25200600
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name4,9-dimethyldodeca-2,4,6,8,10-pentaenedial
SMILESCC(C=CC=O)=CC=CC=C(C)C=CC=O
InChIInChI=1S/C14H16O2/c1-13(9-5-11-15)7-3-4-8-14(2)10-6-12-16/h3-12H,1-2H3
InChIKeyQXJSYJRWEUENRT-UHFFFAOYSA-N
XLogP2.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,9-dimethyldodeca-2,4,6,8,10-pentaenedial?
The IUPAC name of 4,9-dimethyldodeca-2,4,6,8,10-pentaenedial (CID 25200600) is 4,9-dimethyldodeca-2,4,6,8,10-pentaenedial.
What is the SMILES notation for 4,9-dimethyldodeca-2,4,6,8,10-pentaenedial?
The canonical SMILES for 4,9-dimethyldodeca-2,4,6,8,10-pentaenedial is CC(C=CC=O)=CC=CC=C(C)C=CC=O.
What is the InChIKey of 4,9-dimethyldodeca-2,4,6,8,10-pentaenedial?
The InChIKey is QXJSYJRWEUENRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-13(9-5-11-15)7-3-4-8-14(2)10-6-12-16/h3-12H,1-2H3.
What are the key properties of 4,9-dimethyldodeca-2,4,6,8,10-pentaenedial?
4,9-dimethyldodeca-2,4,6,8,10-pentaenedial has a molecular weight of 216.28 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethyldodeca-2,4,6,8,10-pentaenedial is sourced from PubChem (CID 25200600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).