6-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione

C14H8O3 — CID 4669379

IUPAC6-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
SMILESO=C1OC(=O)c2ccc3c4c(ccc1c24)CC3
InChIInChI=1S/C14H8O3/c15-13-9-5-3-7-1-2-8-4-6-10(14(16)17-13)12(9)11(7)8/h3-6H,1-2H2
InChIKeyJDLNUOOGRNIDEQ-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.25
Rot. Bonds

About 6-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione

6-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione (PubChem CID 4669379) has the molecular formula C14H8O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 6-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione.

Molecular Properties

Compound Name6-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
PubChem CID4669379
Molecular FormulaC14H8O3
Molecular Weight224.22 g/mol
Exact Mass224.05
IUPAC Name6-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
SMILESO=C1OC(=O)c2ccc3c4c(ccc1c24)CC3
InChIInChI=1S/C14H8O3/c15-13-9-5-3-7-1-2-8-4-6-10(14(16)17-13)12(9)11(7)8/h3-6H,1-2H2
InChIKeyJDLNUOOGRNIDEQ-UHFFFAOYSA-N
XLogP2.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Naphthalic anhydride
CID 6693
Dimethyl-2,6-naphthalenedicarboxylate
CID 61225
peri-Naphthalide
CID 223824
Naphthalenetetracarboxylic dianhydride
CID 6678
Methyl 2-naphthoate
CID 137605
3,4,9,10-Perylenetetracarboxylic dianhydride
CID 67191
4-Phenyl-1H,3H-naphtho(1,8-cd)pyran-1,3-dione
CID 11818168
1,2-Naphthalenedicarboxylic anhydride
CID 21437
Ethyl 2-naphthoate
CID 76363
Fluorenone-2-carboxylic acid
CID 69913
4-Phenylnaphtho[2,3-c]furan-1(3H)-one
CID 14376458
5-Acenaphthoic acid
CID 97619

Frequently Asked Questions

What is the IUPAC name of 6-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione?
The IUPAC name of 6-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione (CID 4669379) is 6-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione.
What is the SMILES notation for 6-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione?
The canonical SMILES for 6-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione is O=C1OC(=O)c2ccc3c4c(ccc1c24)CC3.
What is the InChIKey of 6-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione?
The InChIKey is JDLNUOOGRNIDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O3/c15-13-9-5-3-7-1-2-8-4-6-10(14(16)17-13)12(9)11(7)8/h3-6H,1-2H2.
What are the key properties of 6-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione?
6-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione has a molecular weight of 224.22 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione is sourced from PubChem (CID 4669379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).