2-ethoxy-3-methylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione

C16H16O4 — CID 15264117

IUPAC2-ethoxy-3-methylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione
SMILESCCOC1OC2(CC=C1C)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H16O4/c1-3-19-15-10(2)8-9-16(20-15)13(17)11-6-4-5-7-12(11)14(16)18/h4-8,15H,3,9H2,1-2H3
InChIKeyFQBSIXKXNBPGDP-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.53
Rot. Bonds2

About 2-ethoxy-3-methylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione

2-ethoxy-3-methylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione (PubChem CID 15264117) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-ethoxy-3-methylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione.

Molecular Properties

Compound Name2-ethoxy-3-methylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione
PubChem CID15264117
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name2-ethoxy-3-methylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione
SMILESCCOC1OC2(CC=C1C)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H16O4/c1-3-19-15-10(2)8-9-16(20-15)13(17)11-6-4-5-7-12(11)14(16)18/h4-8,15H,3,9H2,1-2H3
InChIKeyFQBSIXKXNBPGDP-UHFFFAOYSA-N
XLogP2.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-methylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione?
The IUPAC name of 2-ethoxy-3-methylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione (CID 15264117) is 2-ethoxy-3-methylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione.
What is the SMILES notation for 2-ethoxy-3-methylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione?
The canonical SMILES for 2-ethoxy-3-methylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione is CCOC1OC2(CC=C1C)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-ethoxy-3-methylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione?
The InChIKey is FQBSIXKXNBPGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-3-19-15-10(2)8-9-16(20-15)13(17)11-6-4-5-7-12(11)14(16)18/h4-8,15H,3,9H2,1-2H3.
What are the key properties of 2-ethoxy-3-methylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione?
2-ethoxy-3-methylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione has a molecular weight of 272.30 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-methylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione is sourced from PubChem (CID 15264117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).