7-Oxabenzonorbornadiene

C10H8O — CID 129736041

IUPAC3-oxatricyclo[6.2.1.02,7]undeca-1(10),4,6,8-tetraene
SMILESC1C2=CC=C1C3=CC=COC23
InChIInChI=1S/C10H8O/c1-2-9-7-3-4-8(6-7)10(9)11-5-1/h1-5,10H,6H2
InChIKeyDKHWIZINTJRXRE-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.10
Rot. Bonds

About 7-Oxabenzonorbornadiene

7-Oxabenzonorbornadiene (PubChem CID 129736041) has the molecular formula C10H8O and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-oxatricyclo[6.2.1.02,7]undeca-1(10),4,6,8-tetraene.

Molecular Properties

Compound Name7-Oxabenzonorbornadiene
PubChem CID129736041
Molecular FormulaC10H8O
Molecular Weight144.17 g/mol
Exact Mass144.06
IUPAC Name3-oxatricyclo[6.2.1.02,7]undeca-1(10),4,6,8-tetraene
SMILESC1C2=CC=C1C3=CC=COC23
InChIInChI=1S/C10H8O/c1-2-9-7-3-4-8(6-7)10(9)11-5-1/h1-5,10H,6H2
InChIKeyDKHWIZINTJRXRE-UHFFFAOYSA-N
XLogP1.10
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity329

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-Tetrahydrobenzofuran
CID 17799099
7,7a-Dihydrobenzofuran
CID 19744327
2-Oxabicyclo[2.2.1]hepta-3,5-diene
CID 67217101
Indenonaphthopyran
CID 86654524
Cyclopentabenzofuran
CID 87131369
Cyclopentachromene
CID 87622378
Indenobenzofuran
CID 88598125
Cyclopenta-[g]-benzo pyrane
CID 89428281
Indeno[5,6-b]furan
CID 129845500
8,8a-dihydro-4H-chromene
CID 91065127
3,6-Dimethoxynorbornadiene
CID 129814810
5,9-Epoxy-1H-benzocycloheptene
CID 129888471

Frequently Asked Questions

What is the IUPAC name of 7-Oxabenzonorbornadiene?
The IUPAC name of 7-Oxabenzonorbornadiene (CID 129736041) is 3-oxatricyclo[6.2.1.02,7]undeca-1(10),4,6,8-tetraene.
What is the SMILES notation for 7-Oxabenzonorbornadiene?
The canonical SMILES for 7-Oxabenzonorbornadiene is C1C2=CC=C1C3=CC=COC23.
What is the InChIKey of 7-Oxabenzonorbornadiene?
The InChIKey is DKHWIZINTJRXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O/c1-2-9-7-3-4-8(6-7)10(9)11-5-1/h1-5,10H,6H2.
What are the key properties of 7-Oxabenzonorbornadiene?
7-Oxabenzonorbornadiene has a molecular weight of 144.17 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-Oxabenzonorbornadiene is sourced from PubChem (CID 129736041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).