tetradeca-2,3-dienal

C14H24O — CID 25179784

IUPACtetradeca-2,3-dienal
SMILESCCCCCCCCCCC=C=CC=O
InChIInChI=1S/C14H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h11,13-14H,2-10H2,1H3
InChIKeyVSGFAAYLNBOCMF-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.43
Rot. Bonds10

About tetradeca-2,3-dienal

tetradeca-2,3-dienal (PubChem CID 25179784) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is tetradeca-2,3-dienal.

Molecular Properties

Compound Nametetradeca-2,3-dienal
PubChem CID25179784
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Nametetradeca-2,3-dienal
SMILESCCCCCCCCCCC=C=CC=O
InChIInChI=1S/C14H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h11,13-14H,2-10H2,1H3
InChIKeyVSGFAAYLNBOCMF-UHFFFAOYSA-N
XLogP4.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.43
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

dodeca-2,3-dienal
CID 11810769
pentacosa-12,13-diene
CID 174365678
octadeca-5,6-diene
CID 141110817
dodeca-3,4-diene
CID 91492112
octadeca-2,3-dien-1-ol
CID 138969077
2,2-dimethyltrideca-3,4-diene
CID 134994881
bis(dec-1-ene);nonadeca-9,10-diene
CID 91436837
pentacosa-2,3-dienenitrile
CID 175148775
pentadeca-1,4,5-triene
CID 174394424
heptatriaconta-15,18,19-triene
CID 57100861
dodeca-4,5-dienenitrile
CID 121006720
decanal;decane
CID 157361056

Frequently Asked Questions

What is the IUPAC name of tetradeca-2,3-dienal?
The IUPAC name of tetradeca-2,3-dienal (CID 25179784) is tetradeca-2,3-dienal.
What is the SMILES notation for tetradeca-2,3-dienal?
The canonical SMILES for tetradeca-2,3-dienal is CCCCCCCCCCC=C=CC=O.
What is the InChIKey of tetradeca-2,3-dienal?
The InChIKey is VSGFAAYLNBOCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h11,13-14H,2-10H2,1H3.
What are the key properties of tetradeca-2,3-dienal?
tetradeca-2,3-dienal has a molecular weight of 208.34 g/mol, XLogP of 4.43, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetradeca-2,3-dienal is sourced from PubChem (CID 25179784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).