ethenyl 2-methoxybut-3-enoate

C7H10O3 — CID 139683352

IUPACethenyl 2-methoxybut-3-enoate
SMILESC=COC(=O)C(C=C)OC
InChIInChI=1S/C7H10O3/c1-4-6(9-3)7(8)10-5-2/h4-6H,1-2H2,3H3
InChIKeyZVBSKVBGDUFRBY-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.87
Rot. Bonds4

About ethenyl 2-methoxybut-3-enoate

ethenyl 2-methoxybut-3-enoate (PubChem CID 139683352) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is ethenyl 2-methoxybut-3-enoate.

Molecular Properties

Compound Nameethenyl 2-methoxybut-3-enoate
PubChem CID139683352
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Nameethenyl 2-methoxybut-3-enoate
SMILESC=COC(=O)C(C=C)OC
InChIInChI=1S/C7H10O3/c1-4-6(9-3)7(8)10-5-2/h4-6H,1-2H2,3H3
InChIKeyZVBSKVBGDUFRBY-UHFFFAOYSA-N
XLogP0.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl 2-methoxybut-3-enoate?
The IUPAC name of ethenyl 2-methoxybut-3-enoate (CID 139683352) is ethenyl 2-methoxybut-3-enoate.
What is the SMILES notation for ethenyl 2-methoxybut-3-enoate?
The canonical SMILES for ethenyl 2-methoxybut-3-enoate is C=COC(=O)C(C=C)OC.
What is the InChIKey of ethenyl 2-methoxybut-3-enoate?
The InChIKey is ZVBSKVBGDUFRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-4-6(9-3)7(8)10-5-2/h4-6H,1-2H2,3H3.
What are the key properties of ethenyl 2-methoxybut-3-enoate?
ethenyl 2-methoxybut-3-enoate has a molecular weight of 142.15 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-methoxybut-3-enoate is sourced from PubChem (CID 139683352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).