8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-3,5,10,12(14)-tetraene

C13H12O — CID 22633676

IUPAC8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-3,5,10,12(14)-tetraene
SMILESC1=CC2OC3C=CC4=C(C4)C3C2C=C1
InChIInChI=1S/C13H12O/c1-2-4-11-9(3-1)13-10-7-8(10)5-6-12(13)14-11/h1-6,9,11-13H,7H2
InChIKeyPKAAUSOMUPKJAY-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.38
Rot. Bonds

About 8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-3,5,10,12(14)-tetraene

8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-3,5,10,12(14)-tetraene (PubChem CID 22633676) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is 8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-3,5,10,12(14)-tetraene.

Molecular Properties

Compound Name8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-3,5,10,12(14)-tetraene
PubChem CID22633676
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-3,5,10,12(14)-tetraene
SMILESC1=CC2OC3C=CC4=C(C4)C3C2C=C1
InChIInChI=1S/C13H12O/c1-2-4-11-9(3-1)13-10-7-8(10)5-6-12(13)14-11/h1-6,9,11-13H,7H2
InChIKeyPKAAUSOMUPKJAY-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-3,5,10,12(14)-tetraene?
The IUPAC name of 8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-3,5,10,12(14)-tetraene (CID 22633676) is 8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-3,5,10,12(14)-tetraene.
What is the SMILES notation for 8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-3,5,10,12(14)-tetraene?
The canonical SMILES for 8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-3,5,10,12(14)-tetraene is C1=CC2OC3C=CC4=C(C4)C3C2C=C1.
What is the InChIKey of 8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-3,5,10,12(14)-tetraene?
The InChIKey is PKAAUSOMUPKJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O/c1-2-4-11-9(3-1)13-10-7-8(10)5-6-12(13)14-11/h1-6,9,11-13H,7H2.
What are the key properties of 8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-3,5,10,12(14)-tetraene?
8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-3,5,10,12(14)-tetraene has a molecular weight of 184.24 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-3,5,10,12(14)-tetraene is sourced from PubChem (CID 22633676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).