(2E,4E,6E)-8-methoxydodeca-2,4,6-trienal

C13H20O2 — CID 15755836

IUPAC(2E,4E,6E)-8-methoxydodeca-2,4,6-trienal
SMILESCCCCC(/C=C/C=C/C=C/C=O)OC
InChIInChI=1S/C13H20O2/c1-3-4-10-13(15-2)11-8-6-5-7-9-12-14/h5-9,11-13H,3-4,10H2,1-2H3/b6-5+,9-7+,11-8+
InChIKeyBMRFRGZPZCOFLS-HGDJJZPMSA-N
MW208.30 g/mol
LogP3.06
Rot. Bonds8

About (2E,4E,6E)-8-methoxydodeca-2,4,6-trienal

(2E,4E,6E)-8-methoxydodeca-2,4,6-trienal (PubChem CID 15755836) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (2E,4E,6E)-8-methoxydodeca-2,4,6-trienal.

Molecular Properties

Compound Name(2E,4E,6E)-8-methoxydodeca-2,4,6-trienal
PubChem CID15755836
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(2E,4E,6E)-8-methoxydodeca-2,4,6-trienal
SMILESCCCCC(/C=C/C=C/C=C/C=O)OC
InChIInChI=1S/C13H20O2/c1-3-4-10-13(15-2)11-8-6-5-7-9-12-14/h5-9,11-13H,3-4,10H2,1-2H3/b6-5+,9-7+,11-8+
InChIKeyBMRFRGZPZCOFLS-HGDJJZPMSA-N
XLogP3.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.06
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

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5-methoxyheptadec-2-enal
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(E)-5-methoxy-4-methyloct-2-enal
CID 87291582
10-hydroperoxydocosa-2,4,6,8-tetraenoic acid
CID 169110902
3-methoxynon-1-ene
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methyl (6Z,8E)-5-hydroxy-10-oxodeca-6,8-dienoate
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(2E,4E)-5-methoxypenta-2,4-dienal
CID 15344962
5-methoxy-3-methylnon-3-en-1-ol
CID 91036217
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CID 87792972

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-8-methoxydodeca-2,4,6-trienal?
The IUPAC name of (2E,4E,6E)-8-methoxydodeca-2,4,6-trienal (CID 15755836) is (2E,4E,6E)-8-methoxydodeca-2,4,6-trienal.
What is the SMILES notation for (2E,4E,6E)-8-methoxydodeca-2,4,6-trienal?
The canonical SMILES for (2E,4E,6E)-8-methoxydodeca-2,4,6-trienal is CCCCC(/C=C/C=C/C=C/C=O)OC.
What is the InChIKey of (2E,4E,6E)-8-methoxydodeca-2,4,6-trienal?
The InChIKey is BMRFRGZPZCOFLS-HGDJJZPMSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-4-10-13(15-2)11-8-6-5-7-9-12-14/h5-9,11-13H,3-4,10H2,1-2H3/b6-5+,9-7+,11-8+.
What are the key properties of (2E,4E,6E)-8-methoxydodeca-2,4,6-trienal?
(2E,4E,6E)-8-methoxydodeca-2,4,6-trienal has a molecular weight of 208.30 g/mol, XLogP of 3.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-8-methoxydodeca-2,4,6-trienal is sourced from PubChem (CID 15755836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).