(2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenal

C12H14O — CID 5283362

IUPAC(2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenal
SMILESC/C=C/C=C/C=C/C=C/C=C/C=O
InChIInChI=1S/C12H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H,1H3/b3-2+,5-4+,7-6+,9-8+,11-10+
InChIKeyNLPJEWTYXLOFLM-GNUNTXLASA-N
MW174.24 g/mol
LogP2.99
Rot. Bonds5

About (2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenal

(2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenal (PubChem CID 5283362) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is (2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenal.

Molecular Properties

Compound Name(2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenal
PubChem CID5283362
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name(2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenal
SMILESC/C=C/C=C/C=C/C=C/C=C/C=O
InChIInChI=1S/C12H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H,1H3/b3-2+,5-4+,7-6+,9-8+,11-10+
InChIKeyNLPJEWTYXLOFLM-GNUNTXLASA-N
XLogP2.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Crotonaldehyde
CID 447466
2,4-Hexadienal
CID 637564
2,4-Heptadienal
CID 5283321
2,4-Octadienal, (2E,4E)-
CID 5283329
Crotonaldehyde, (2Z)-
CID 643950
2,4-Pentadienal
CID 5986428
2,4,6-Nonatrienal, (2E,4E,6E)-
CID 15755823
Deca-2,4,7-trienal
CID 181747
Hexa-2,4-dienedial
CID 5283312
Hepta-2,4-dienal
CID 20307
2,4,7-Decatrienal
CID 5283352
2,4,6-Octatrienal
CID 5283331

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenal?
The IUPAC name of (2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenal (CID 5283362) is (2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenal.
What is the SMILES notation for (2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenal?
The canonical SMILES for (2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenal is C/C=C/C=C/C=C/C=C/C=C/C=O.
What is the InChIKey of (2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenal?
The InChIKey is NLPJEWTYXLOFLM-GNUNTXLASA-N. The full InChI is InChI=1S/C12H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H,1H3/b3-2+,5-4+,7-6+,9-8+,11-10+.
What are the key properties of (2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenal?
(2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenal has a molecular weight of 174.24 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenal is sourced from PubChem (CID 5283362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).