2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),3,5,7,10,12,15-heptaene

C14H8O2 — CID 6451338

IUPAC2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),3,5,7,10,12,15-heptaene
SMILESc1cc2coc3cccc4coc(c1)c2=c43
InChIInChI=1S/C14H8O2/c1-3-9-7-16-12-6-2-4-10-8-15-11(5-1)13(9)14(10)12/h1-8H
InChIKeyUAVRDVCOMONISG-UHFFFAOYSA-N
MW208.22 g/mol
LogP3.90
Rot. Bonds

About 2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),3,5,7,10,12,15-heptaene

2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),3,5,7,10,12,15-heptaene (PubChem CID 6451338) has the molecular formula C14H8O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),3,5,7,10,12,15-heptaene.

Molecular Properties

Compound Name2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),3,5,7,10,12,15-heptaene
PubChem CID6451338
Molecular FormulaC14H8O2
Molecular Weight208.22 g/mol
Exact Mass208.05
IUPAC Name2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),3,5,7,10,12,15-heptaene
SMILESc1cc2coc3cccc4coc(c1)c2=c43
InChIInChI=1S/C14H8O2/c1-3-9-7-16-12-6-2-4-10-8-15-11(5-1)13(9)14(10)12/h1-8H
InChIKeyUAVRDVCOMONISG-UHFFFAOYSA-N
XLogP3.90
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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(14),3,5,7,10,12,15-heptaene?
The IUPAC name of 2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),3,5,7,10,12,15-heptaene (CID 6451338) is 2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),3,5,7,10,12,15-heptaene.
What is the SMILES notation for 2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),3,5,7,10,12,15-heptaene?
The canonical SMILES for 2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),3,5,7,10,12,15-heptaene is c1cc2coc3cccc4coc(c1)c2=c43.
What is the InChIKey of 2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),3,5,7,10,12,15-heptaene?
The InChIKey is UAVRDVCOMONISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2/c1-3-9-7-16-12-6-2-4-10-8-15-11(5-1)13(9)14(10)12/h1-8H.
What are the key properties of 2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),3,5,7,10,12,15-heptaene?
2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),3,5,7,10,12,15-heptaene has a molecular weight of 208.22 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),3,5,7,10,12,15-heptaene is sourced from PubChem (CID 6451338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).