(2E,4E,6E,8E,10E)-4,9-dimethyldodeca-2,4,6,8,10-pentaenedial

C14H16O2 — CID 15613503

IUPAC(2E,4E,6E,8E,10E)-4,9-dimethyldodeca-2,4,6,8,10-pentaenedial
SMILESCC(/C=C/C=O)=C\C=C\C=C(C)\C=C\C=O
InChIInChI=1S/C14H16O2/c1-13(9-5-11-15)7-3-4-8-14(2)10-6-12-16/h3-12H,1-2H3/b4-3+,9-5+,10-6+,13-7+,14-8+
InChIKeyQXJSYJRWEUENRT-PSAUJTBTSA-N
MW216.28 g/mol
LogP2.95
Rot. Bonds6

About (2E,4E,6E,8E,10E)-4,9-dimethyldodeca-2,4,6,8,10-pentaenedial

(2E,4E,6E,8E,10E)-4,9-dimethyldodeca-2,4,6,8,10-pentaenedial (PubChem CID 15613503) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2E,4E,6E,8E,10E)-4,9-dimethyldodeca-2,4,6,8,10-pentaenedial.

Molecular Properties

Compound Name(2E,4E,6E,8E,10E)-4,9-dimethyldodeca-2,4,6,8,10-pentaenedial
PubChem CID15613503
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(2E,4E,6E,8E,10E)-4,9-dimethyldodeca-2,4,6,8,10-pentaenedial
SMILESCC(/C=C/C=O)=C\C=C\C=C(C)\C=C\C=O
InChIInChI=1S/C14H16O2/c1-13(9-5-11-15)7-3-4-8-14(2)10-6-12-16/h3-12H,1-2H3/b4-3+,9-5+,10-6+,13-7+,14-8+
InChIKeyQXJSYJRWEUENRT-PSAUJTBTSA-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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Related Compounds

2,4-Decadienal
CID 5283349
Orange Oil
CID 62161
(2Z,4E)-Nona-2,4-Dienal
CID 6428555
2,4-Heptadienal
CID 5283321
alpha-Sinensal
CID 5281534
beta-SINENSAL
CID 5281535
2,4-Octadienal, (2E,4E)-
CID 5283329
Nona-2,4-dienal
CID 23203
2,4-Nonadienal
CID 5283339
2,4,7-Tridecatrienal, (2E,4Z,7Z)-
CID 6421281
2,4,6-Nonatrienal, (2E,4E,6E)-
CID 15755823
Deca-2,4,7-trienal
CID 181747

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E,10E)-4,9-dimethyldodeca-2,4,6,8,10-pentaenedial?
The IUPAC name of (2E,4E,6E,8E,10E)-4,9-dimethyldodeca-2,4,6,8,10-pentaenedial (CID 15613503) is (2E,4E,6E,8E,10E)-4,9-dimethyldodeca-2,4,6,8,10-pentaenedial.
What is the SMILES notation for (2E,4E,6E,8E,10E)-4,9-dimethyldodeca-2,4,6,8,10-pentaenedial?
The canonical SMILES for (2E,4E,6E,8E,10E)-4,9-dimethyldodeca-2,4,6,8,10-pentaenedial is CC(/C=C/C=O)=C\C=C\C=C(C)\C=C\C=O.
What is the InChIKey of (2E,4E,6E,8E,10E)-4,9-dimethyldodeca-2,4,6,8,10-pentaenedial?
The InChIKey is QXJSYJRWEUENRT-PSAUJTBTSA-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/b4-3+,9-5+,10-6+,13-7+,14-8+.
What are the key properties of (2E,4E,6E,8E,10E)-4,9-dimethyldodeca-2,4,6,8,10-pentaenedial?
(2E,4E,6E,8E,10E)-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 (2E,4E,6E,8E,10E)-4,9-dimethyldodeca-2,4,6,8,10-pentaenedial is sourced from PubChem (CID 15613503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).