methyl (E)-3-(2-methyl-6-oxopyran-4-yl)oxyprop-2-enoate

C10H10O5 — CID 102368728

IUPACmethyl (E)-3-(2-methyl-6-oxopyran-4-yl)oxyprop-2-enoate
SMILESCOC(=O)/C=C/Oc1cc(C)oc(=O)c1
InChIInChI=1S/C10H10O5/c1-7-5-8(6-10(12)15-7)14-4-3-9(11)13-2/h3-6H,1-2H3/b4-3+
InChIKeyRUYKHDWYTZXWDI-ONEGZZNKSA-N
MW210.19 g/mol
LogP1.01
Rot. Bonds3

About methyl (E)-3-(2-methyl-6-oxopyran-4-yl)oxyprop-2-enoate

methyl (E)-3-(2-methyl-6-oxopyran-4-yl)oxyprop-2-enoate (PubChem CID 102368728) has the molecular formula C10H10O5 and a molecular weight of 210.19 g/mol. Its IUPAC name is methyl (E)-3-(2-methyl-6-oxopyran-4-yl)oxyprop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(2-methyl-6-oxopyran-4-yl)oxyprop-2-enoate
PubChem CID102368728
Molecular FormulaC10H10O5
Molecular Weight210.19 g/mol
Exact Mass210.05
IUPAC Namemethyl (E)-3-(2-methyl-6-oxopyran-4-yl)oxyprop-2-enoate
SMILESCOC(=O)/C=C/Oc1cc(C)oc(=O)c1
InChIInChI=1S/C10H10O5/c1-7-5-8(6-10(12)15-7)14-4-3-9(11)13-2/h3-6H,1-2H3/b4-3+
InChIKeyRUYKHDWYTZXWDI-ONEGZZNKSA-N
XLogP1.01
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(2-methyl-6-oxopyran-4-yl)oxyprop-2-enoate?
The IUPAC name of methyl (E)-3-(2-methyl-6-oxopyran-4-yl)oxyprop-2-enoate (CID 102368728) is methyl (E)-3-(2-methyl-6-oxopyran-4-yl)oxyprop-2-enoate.
What is the SMILES notation for methyl (E)-3-(2-methyl-6-oxopyran-4-yl)oxyprop-2-enoate?
The canonical SMILES for methyl (E)-3-(2-methyl-6-oxopyran-4-yl)oxyprop-2-enoate is COC(=O)/C=C/Oc1cc(C)oc(=O)c1.
What is the InChIKey of methyl (E)-3-(2-methyl-6-oxopyran-4-yl)oxyprop-2-enoate?
The InChIKey is RUYKHDWYTZXWDI-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H10O5/c1-7-5-8(6-10(12)15-7)14-4-3-9(11)13-2/h3-6H,1-2H3/b4-3+.
What are the key properties of methyl (E)-3-(2-methyl-6-oxopyran-4-yl)oxyprop-2-enoate?
methyl (E)-3-(2-methyl-6-oxopyran-4-yl)oxyprop-2-enoate has a molecular weight of 210.19 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(2-methyl-6-oxopyran-4-yl)oxyprop-2-enoate is sourced from PubChem (CID 102368728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).