(2E)-tetradeca-2,13-dienal

C14H24O — CID 87269754

IUPAC(2E)-tetradeca-2,13-dienal
SMILESC=CCCCCCCCCC/C=C/C=O
InChIInChI=1S/C14H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,12-14H,1,3-11H2/b13-12+
InChIKeyKEUYQHXIDWDEES-OUKQBFOZSA-N
MW208.34 g/mol
LogP4.44
Rot. Bonds11

About (2E)-tetradeca-2,13-dienal

(2E)-tetradeca-2,13-dienal (PubChem CID 87269754) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (2E)-tetradeca-2,13-dienal.

Molecular Properties

Compound Name(2E)-tetradeca-2,13-dienal
PubChem CID87269754
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(2E)-tetradeca-2,13-dienal
SMILESC=CCCCCCCCCC/C=C/C=O
InChIInChI=1S/C14H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,12-14H,1,3-11H2/b13-12+
InChIKeyKEUYQHXIDWDEES-OUKQBFOZSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,13Z,24E)-hexacosa-2,13,24-trienedial
CID 24786697
dodec-2-enedial
CID 54372755
heptahexaconta-1,23,66-triene
CID 57275880
icosa-1,9,19-triene
CID 57001912
(E)-non-2-enal
CID 160680674
(E)-non-2-enal
CID 5283335
(E)-dec-2-enal
CID 5283345
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
(22Z,24Z)-hentriaconta-1,22,24-triene
CID 177463593
(2E,10Z)-trideca-2,10-dienal
CID 129221038
trideca-1,8,10-triene
CID 548898

Frequently Asked Questions

What is the IUPAC name of (2E)-tetradeca-2,13-dienal?
The IUPAC name of (2E)-tetradeca-2,13-dienal (CID 87269754) is (2E)-tetradeca-2,13-dienal.
What is the SMILES notation for (2E)-tetradeca-2,13-dienal?
The canonical SMILES for (2E)-tetradeca-2,13-dienal is C=CCCCCCCCCC/C=C/C=O.
What is the InChIKey of (2E)-tetradeca-2,13-dienal?
The InChIKey is KEUYQHXIDWDEES-OUKQBFOZSA-N. The full InChI is InChI=1S/C14H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,12-14H,1,3-11H2/b13-12+.
What are the key properties of (2E)-tetradeca-2,13-dienal?
(2E)-tetradeca-2,13-dienal has a molecular weight of 208.34 g/mol, XLogP of 4.44, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-tetradeca-2,13-dienal is sourced from PubChem (CID 87269754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).