6-ethyl-15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione

C16H16O3 — CID 141301065

IUPAC6-ethyl-15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione
SMILESCCC1CCC2=C(C1)C(=O)C1=CC=CC3OC13C2=O
InChIInChI=1S/C16H16O3/c1-2-9-6-7-10-11(8-9)14(17)12-4-3-5-13-16(12,19-13)15(10)18/h3-5,9,13H,2,6-8H2,1H3
InChIKeyKPSYEMIALWYLMU-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.28
Rot. Bonds1

About 6-ethyl-15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione

6-ethyl-15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione (PubChem CID 141301065) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 6-ethyl-15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione.

Molecular Properties

Compound Name6-ethyl-15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione
PubChem CID141301065
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name6-ethyl-15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione
SMILESCCC1CCC2=C(C1)C(=O)C1=CC=CC3OC13C2=O
InChIInChI=1S/C16H16O3/c1-2-9-6-7-10-11(8-9)14(17)12-4-3-5-13-16(12,19-13)15(10)18/h3-5,9,13H,2,6-8H2,1H3
InChIKeyKPSYEMIALWYLMU-UHFFFAOYSA-N
XLogP2.28
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 6-ethyl-15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione with MolForge

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Related Compounds

Spiro[5,6,7,8-tetrahydronaphthalene-1,2'-oxirane]-2-one
CID 11084410
Nectriatone A
CID 146682558
(3R)-5-cyclohexyl-8-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 60104833
1a,2,3,4-Tetrahydronaphtho[1,8a-b]oxiren-8-one
CID 60116994
1-(7-Oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)undecan-1-one
CID 88164329
1-(7-Oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)nonan-1-one
CID 140976032
6-Pentyl-15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione
CID 141040292
15-Oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione
CID 141437524
4-Pentadecyl-1-oxaspiro[2.5]octa-4,6-dien-8-one
CID 148241057
1-(7-Oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)hexadecan-1-one
CID 163360932
1-(7-Oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)octadecan-1-one
CID 163360933
5-Cyclohexyl-8-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 23519162

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione?
The IUPAC name of 6-ethyl-15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione (CID 141301065) is 6-ethyl-15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione.
What is the SMILES notation for 6-ethyl-15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione?
The canonical SMILES for 6-ethyl-15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione is CCC1CCC2=C(C1)C(=O)C1=CC=CC3OC13C2=O.
What is the InChIKey of 6-ethyl-15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione?
The InChIKey is KPSYEMIALWYLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-2-9-6-7-10-11(8-9)14(17)12-4-3-5-13-16(12,19-13)15(10)18/h3-5,9,13H,2,6-8H2,1H3.
What are the key properties of 6-ethyl-15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione?
6-ethyl-15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione has a molecular weight of 256.30 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione is sourced from PubChem (CID 141301065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).