2-ethenyl-3-methoxypenta-2,4-dienal

C8H10O2 — CID 123203867

IUPAC2-ethenyl-3-methoxypenta-2,4-dienal
SMILESC=CC(C=O)=C(C=C)OC
InChIInChI=1S/C8H10O2/c1-4-7(6-9)8(5-2)10-3/h4-6H,1-2H2,3H3
InChIKeyCCRCWVIOXZBHSL-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.46
Rot. Bonds4

About 2-ethenyl-3-methoxypenta-2,4-dienal

2-ethenyl-3-methoxypenta-2,4-dienal (PubChem CID 123203867) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-ethenyl-3-methoxypenta-2,4-dienal.

Molecular Properties

Compound Name2-ethenyl-3-methoxypenta-2,4-dienal
PubChem CID123203867
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name2-ethenyl-3-methoxypenta-2,4-dienal
SMILESC=CC(C=O)=C(C=C)OC
InChIInChI=1S/C8H10O2/c1-4-7(6-9)8(5-2)10-3/h4-6H,1-2H2,3H3
InChIKeyCCRCWVIOXZBHSL-UHFFFAOYSA-N
XLogP1.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.46
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 2-ethenyl-3-methoxypenta-2,4-dienal?
The IUPAC name of 2-ethenyl-3-methoxypenta-2,4-dienal (CID 123203867) is 2-ethenyl-3-methoxypenta-2,4-dienal.
What is the SMILES notation for 2-ethenyl-3-methoxypenta-2,4-dienal?
The canonical SMILES for 2-ethenyl-3-methoxypenta-2,4-dienal is C=CC(C=O)=C(C=C)OC.
What is the InChIKey of 2-ethenyl-3-methoxypenta-2,4-dienal?
The InChIKey is CCRCWVIOXZBHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-4-7(6-9)8(5-2)10-3/h4-6H,1-2H2,3H3.
What are the key properties of 2-ethenyl-3-methoxypenta-2,4-dienal?
2-ethenyl-3-methoxypenta-2,4-dienal has a molecular weight of 138.17 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-methoxypenta-2,4-dienal is sourced from PubChem (CID 123203867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).