methyl 5-methoxypenta-2,3-dienoate

C7H10O3 — CID 102446406

IUPACmethyl 5-methoxypenta-2,3-dienoate
SMILESCOCC=C=CC(=O)OC
InChIInChI=1S/C7H10O3/c1-9-6-4-3-5-7(8)10-2/h4-5H,6H2,1-2H3
InChIKeyYQIUQYYICNZGFL-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.52
Rot. Bonds3

About methyl 5-methoxypenta-2,3-dienoate

methyl 5-methoxypenta-2,3-dienoate (PubChem CID 102446406) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is methyl 5-methoxypenta-2,3-dienoate.

Molecular Properties

Compound Namemethyl 5-methoxypenta-2,3-dienoate
PubChem CID102446406
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Namemethyl 5-methoxypenta-2,3-dienoate
SMILESCOCC=C=CC(=O)OC
InChIInChI=1S/C7H10O3/c1-9-6-4-3-5-7(8)10-2/h4-5H,6H2,1-2H3
InChIKeyYQIUQYYICNZGFL-UHFFFAOYSA-N
XLogP0.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxypenta-2,3-dienoate?
The IUPAC name of methyl 5-methoxypenta-2,3-dienoate (CID 102446406) is methyl 5-methoxypenta-2,3-dienoate.
What is the SMILES notation for methyl 5-methoxypenta-2,3-dienoate?
The canonical SMILES for methyl 5-methoxypenta-2,3-dienoate is COCC=C=CC(=O)OC.
What is the InChIKey of methyl 5-methoxypenta-2,3-dienoate?
The InChIKey is YQIUQYYICNZGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-9-6-4-3-5-7(8)10-2/h4-5H,6H2,1-2H3.
What are the key properties of methyl 5-methoxypenta-2,3-dienoate?
methyl 5-methoxypenta-2,3-dienoate has a molecular weight of 142.15 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxypenta-2,3-dienoate is sourced from PubChem (CID 102446406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).