4-methoxy-6-methyl-5-[(E)-5-prop-2-ynoxypent-2-enoyl]pyran-2-one

C15H16O5 — CID 155521609

IUPAC4-methoxy-6-methyl-5-[(E)-5-prop-2-ynoxypent-2-enoyl]pyran-2-one
SMILESC#CCOCC/C=C/C(=O)c1c(OC)cc(=O)oc1C
InChIInChI=1S/C15H16O5/c1-4-8-19-9-6-5-7-12(16)15-11(2)20-14(17)10-13(15)18-3/h1,5,7,10H,6,8-9H2,2-3H3/b7-5+
InChIKeyWMPFZJIHERYNJA-FNORWQNLSA-N
MW276.29 g/mol
LogP1.74
Rot. Bonds7

About 4-methoxy-6-methyl-5-[(E)-5-prop-2-ynoxypent-2-enoyl]pyran-2-one

4-methoxy-6-methyl-5-[(E)-5-prop-2-ynoxypent-2-enoyl]pyran-2-one (PubChem CID 155521609) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-methoxy-6-methyl-5-[(E)-5-prop-2-ynoxypent-2-enoyl]pyran-2-one.

Molecular Properties

Compound Name4-methoxy-6-methyl-5-[(E)-5-prop-2-ynoxypent-2-enoyl]pyran-2-one
PubChem CID155521609
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name4-methoxy-6-methyl-5-[(E)-5-prop-2-ynoxypent-2-enoyl]pyran-2-one
SMILESC#CCOCC/C=C/C(=O)c1c(OC)cc(=O)oc1C
InChIInChI=1S/C15H16O5/c1-4-8-19-9-6-5-7-12(16)15-11(2)20-14(17)10-13(15)18-3/h1,5,7,10H,6,8-9H2,2-3H3/b7-5+
InChIKeyWMPFZJIHERYNJA-FNORWQNLSA-N
XLogP1.74
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-5-[(E)-5-prop-2-ynoxypent-2-enoyl]pyran-2-one?
The IUPAC name of 4-methoxy-6-methyl-5-[(E)-5-prop-2-ynoxypent-2-enoyl]pyran-2-one (CID 155521609) is 4-methoxy-6-methyl-5-[(E)-5-prop-2-ynoxypent-2-enoyl]pyran-2-one.
What is the SMILES notation for 4-methoxy-6-methyl-5-[(E)-5-prop-2-ynoxypent-2-enoyl]pyran-2-one?
The canonical SMILES for 4-methoxy-6-methyl-5-[(E)-5-prop-2-ynoxypent-2-enoyl]pyran-2-one is C#CCOCC/C=C/C(=O)c1c(OC)cc(=O)oc1C.
What is the InChIKey of 4-methoxy-6-methyl-5-[(E)-5-prop-2-ynoxypent-2-enoyl]pyran-2-one?
The InChIKey is WMPFZJIHERYNJA-FNORWQNLSA-N. The full InChI is InChI=1S/C15H16O5/c1-4-8-19-9-6-5-7-12(16)15-11(2)20-14(17)10-13(15)18-3/h1,5,7,10H,6,8-9H2,2-3H3/b7-5+.
What are the key properties of 4-methoxy-6-methyl-5-[(E)-5-prop-2-ynoxypent-2-enoyl]pyran-2-one?
4-methoxy-6-methyl-5-[(E)-5-prop-2-ynoxypent-2-enoyl]pyran-2-one has a molecular weight of 276.29 g/mol, XLogP of 1.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-5-[(E)-5-prop-2-ynoxypent-2-enoyl]pyran-2-one is sourced from PubChem (CID 155521609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).