methyl 2-(1-methoxy-1-oxobut-3-en-2-yl)oxybut-3-enoate

C10H14O5 — CID 88729237

IUPACmethyl 2-(1-methoxy-1-oxobut-3-en-2-yl)oxybut-3-enoate
SMILESC=CC(OC(C=C)C(=O)OC)C(=O)OC
InChIInChI=1S/C10H14O5/c1-5-7(9(11)13-3)15-8(6-2)10(12)14-4/h5-8H,1-2H2,3-4H3
InChIKeyJPDACQWMINSYBE-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.46
Rot. Bonds6

About methyl 2-(1-methoxy-1-oxobut-3-en-2-yl)oxybut-3-enoate

methyl 2-(1-methoxy-1-oxobut-3-en-2-yl)oxybut-3-enoate (PubChem CID 88729237) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl 2-(1-methoxy-1-oxobut-3-en-2-yl)oxybut-3-enoate.

Molecular Properties

Compound Namemethyl 2-(1-methoxy-1-oxobut-3-en-2-yl)oxybut-3-enoate
PubChem CID88729237
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Namemethyl 2-(1-methoxy-1-oxobut-3-en-2-yl)oxybut-3-enoate
SMILESC=CC(OC(C=C)C(=O)OC)C(=O)OC
InChIInChI=1S/C10H14O5/c1-5-7(9(11)13-3)15-8(6-2)10(12)14-4/h5-8H,1-2H2,3-4H3
InChIKeyJPDACQWMINSYBE-UHFFFAOYSA-N
XLogP0.46
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methoxy-1-oxobut-3-en-2-yl)oxybut-3-enoate?
The IUPAC name of methyl 2-(1-methoxy-1-oxobut-3-en-2-yl)oxybut-3-enoate (CID 88729237) is methyl 2-(1-methoxy-1-oxobut-3-en-2-yl)oxybut-3-enoate.
What is the SMILES notation for methyl 2-(1-methoxy-1-oxobut-3-en-2-yl)oxybut-3-enoate?
The canonical SMILES for methyl 2-(1-methoxy-1-oxobut-3-en-2-yl)oxybut-3-enoate is C=CC(OC(C=C)C(=O)OC)C(=O)OC.
What is the InChIKey of methyl 2-(1-methoxy-1-oxobut-3-en-2-yl)oxybut-3-enoate?
The InChIKey is JPDACQWMINSYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-5-7(9(11)13-3)15-8(6-2)10(12)14-4/h5-8H,1-2H2,3-4H3.
What are the key properties of methyl 2-(1-methoxy-1-oxobut-3-en-2-yl)oxybut-3-enoate?
methyl 2-(1-methoxy-1-oxobut-3-en-2-yl)oxybut-3-enoate has a molecular weight of 214.22 g/mol, XLogP of 0.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methoxy-1-oxobut-3-en-2-yl)oxybut-3-enoate is sourced from PubChem (CID 88729237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).