2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,8(16),11-tetraene-3,10-dione

C14H10O4 — CID 141309554

IUPAC2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,8(16),11-tetraene-3,10-dione
SMILESO=c1oc2c3c(c(=O)oc4c3c1=CCC4)=CCC2
InChIInChI=1S/C14H10O4/c15-13-7-3-1-5-9-11(7)12-8(14(16)17-9)4-2-6-10(12)18-13/h3-4H,1-2,5-6H2
InChIKeyIKJQIIBVSWMJPQ-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.20
Rot. Bonds

About 2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,8(16),11-tetraene-3,10-dione

2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,8(16),11-tetraene-3,10-dione (PubChem CID 141309554) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,8(16),11-tetraene-3,10-dione.

Molecular Properties

Compound Name2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,8(16),11-tetraene-3,10-dione
PubChem CID141309554
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Name2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,8(16),11-tetraene-3,10-dione
SMILESO=c1oc2c3c(c(=O)oc4c3c1=CCC4)=CCC2
InChIInChI=1S/C14H10O4/c15-13-7-3-1-5-9-11(7)12-8(14(16)17-9)4-2-6-10(12)18-13/h3-4H,1-2,5-6H2
InChIKeyIKJQIIBVSWMJPQ-UHFFFAOYSA-N
XLogP0.20
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,8(16),11-tetraene-3,10-dione?
The IUPAC name of 2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,8(16),11-tetraene-3,10-dione (CID 141309554) is 2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,8(16),11-tetraene-3,10-dione.
What is the SMILES notation for 2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,8(16),11-tetraene-3,10-dione?
The canonical SMILES for 2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,8(16),11-tetraene-3,10-dione is O=c1oc2c3c(c(=O)oc4c3c1=CCC4)=CCC2.
What is the InChIKey of 2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,8(16),11-tetraene-3,10-dione?
The InChIKey is IKJQIIBVSWMJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c15-13-7-3-1-5-9-11(7)12-8(14(16)17-9)4-2-6-10(12)18-13/h3-4H,1-2,5-6H2.
What are the key properties of 2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,8(16),11-tetraene-3,10-dione?
2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,8(16),11-tetraene-3,10-dione has a molecular weight of 242.23 g/mol, XLogP of 0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,8(16),11-tetraene-3,10-dione is sourced from PubChem (CID 141309554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).