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

C14H12O3 — CID 141437524

IUPAC15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione
SMILESO=C1C2=CC=CC3OC23C(=O)C2=C1CCCC2
InChIInChI=1S/C14H12O3/c15-12-8-4-1-2-5-9(8)13(16)14-10(12)6-3-7-11(14)17-14/h3,6-7,11H,1-2,4-5H2
InChIKeyWTCJFDZVCSBOIM-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.64
Rot. Bonds

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

15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione (PubChem CID 141437524) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione.

Molecular Properties

Compound Name15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione
PubChem CID141437524
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione
SMILESO=C1C2=CC=CC3OC23C(=O)C2=C1CCCC2
InChIInChI=1S/C14H12O3/c15-12-8-4-1-2-5-9(8)13(16)14-10(12)6-3-7-11(14)17-14/h3,6-7,11H,1-2,4-5H2
InChIKeyWTCJFDZVCSBOIM-UHFFFAOYSA-N
XLogP1.64
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Spiro[5,6,7,8-tetrahydronaphthalene-1,2'-oxirane]-2-one
CID 11084410
spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one
CID 24752228
Spiro[5,6,7,8-tetrahydronaphthalene-2,2'-oxirane]-1-one
CID 11355803
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)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
6-Ethyl-15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione
CID 141301065

Frequently Asked Questions

What is the IUPAC name of 15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione?
The IUPAC name of 15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione (CID 141437524) is 15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione.
What is the SMILES notation for 15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione?
The canonical SMILES for 15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione is O=C1C2=CC=CC3OC23C(=O)C2=C1CCCC2.
What is the InChIKey of 15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione?
The InChIKey is WTCJFDZVCSBOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c15-12-8-4-1-2-5-9(8)13(16)14-10(12)6-3-7-11(14)17-14/h3,6-7,11H,1-2,4-5H2.
What are the key properties of 15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione?
15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione has a molecular weight of 228.25 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione is sourced from PubChem (CID 141437524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).