(2E,4E)-5-methoxypenta-2,4-dienal

C6H8O2 — CID 15344962

IUPAC(2E,4E)-5-methoxypenta-2,4-dienal
SMILESCO/C=C/C=C/C=O
InChIInChI=1S/C6H8O2/c1-8-6-4-2-3-5-7/h2-6H,1H3/b3-2+,6-4+
InChIKeySFMPYPCCSJOTID-WJPDYIDTSA-N
MW112.13 g/mol
LogP0.90
Rot. Bonds3

About (2E,4E)-5-methoxypenta-2,4-dienal

(2E,4E)-5-methoxypenta-2,4-dienal (PubChem CID 15344962) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is (2E,4E)-5-methoxypenta-2,4-dienal.

Molecular Properties

Compound Name(2E,4E)-5-methoxypenta-2,4-dienal
PubChem CID15344962
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name(2E,4E)-5-methoxypenta-2,4-dienal
SMILESCO/C=C/C=C/C=O
InChIInChI=1S/C6H8O2/c1-8-6-4-2-3-5-7/h2-6H,1H3/b3-2+,6-4+
InChIKeySFMPYPCCSJOTID-WJPDYIDTSA-N
XLogP0.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-methoxypenta-2,4-dienal?
The IUPAC name of (2E,4E)-5-methoxypenta-2,4-dienal (CID 15344962) is (2E,4E)-5-methoxypenta-2,4-dienal.
What is the SMILES notation for (2E,4E)-5-methoxypenta-2,4-dienal?
The canonical SMILES for (2E,4E)-5-methoxypenta-2,4-dienal is CO/C=C/C=C/C=O.
What is the InChIKey of (2E,4E)-5-methoxypenta-2,4-dienal?
The InChIKey is SFMPYPCCSJOTID-WJPDYIDTSA-N. The full InChI is InChI=1S/C6H8O2/c1-8-6-4-2-3-5-7/h2-6H,1H3/b3-2+,6-4+.
What are the key properties of (2E,4E)-5-methoxypenta-2,4-dienal?
(2E,4E)-5-methoxypenta-2,4-dienal has a molecular weight of 112.13 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-methoxypenta-2,4-dienal is sourced from PubChem (CID 15344962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).