10-oxatetracyclo[6.5.0.02,7.09,11]trideca-1,3,5,7,12-pentaene

C12H8O — CID 87407906

IUPAC10-oxatetracyclo[6.5.0.02,7.09,11]trideca-1,3,5,7,12-pentaene
SMILESC1=CC2OC2C2=c3ccccc3=C12
InChIInChI=1S/C12H8O/c1-2-4-8-7(3-1)9-5-6-10-12(13-10)11(8)9/h1-6,10,12H
InChIKeyGRZXREUFTYRRJH-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.34
Rot. Bonds

About 10-oxatetracyclo[6.5.0.02,7.09,11]trideca-1,3,5,7,12-pentaene

10-oxatetracyclo[6.5.0.02,7.09,11]trideca-1,3,5,7,12-pentaene (PubChem CID 87407906) has the molecular formula C12H8O and a molecular weight of 168.19 g/mol. Its IUPAC name is 10-oxatetracyclo[6.5.0.02,7.09,11]trideca-1,3,5,7,12-pentaene.

Molecular Properties

Compound Name10-oxatetracyclo[6.5.0.02,7.09,11]trideca-1,3,5,7,12-pentaene
PubChem CID87407906
Molecular FormulaC12H8O
Molecular Weight168.19 g/mol
Exact Mass168.06
IUPAC Name10-oxatetracyclo[6.5.0.02,7.09,11]trideca-1,3,5,7,12-pentaene
SMILESC1=CC2OC2C2=c3ccccc3=C12
InChIInChI=1S/C12H8O/c1-2-4-8-7(3-1)9-5-6-10-12(13-10)11(8)9/h1-6,10,12H
InChIKeyGRZXREUFTYRRJH-UHFFFAOYSA-N
XLogP0.34
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-oxatetracyclo[6.5.0.02,7.09,11]trideca-1,3,5,7,12-pentaene?
The IUPAC name of 10-oxatetracyclo[6.5.0.02,7.09,11]trideca-1,3,5,7,12-pentaene (CID 87407906) is 10-oxatetracyclo[6.5.0.02,7.09,11]trideca-1,3,5,7,12-pentaene.
What is the SMILES notation for 10-oxatetracyclo[6.5.0.02,7.09,11]trideca-1,3,5,7,12-pentaene?
The canonical SMILES for 10-oxatetracyclo[6.5.0.02,7.09,11]trideca-1,3,5,7,12-pentaene is C1=CC2OC2C2=c3ccccc3=C12.
What is the InChIKey of 10-oxatetracyclo[6.5.0.02,7.09,11]trideca-1,3,5,7,12-pentaene?
The InChIKey is GRZXREUFTYRRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O/c1-2-4-8-7(3-1)9-5-6-10-12(13-10)11(8)9/h1-6,10,12H.
What are the key properties of 10-oxatetracyclo[6.5.0.02,7.09,11]trideca-1,3,5,7,12-pentaene?
10-oxatetracyclo[6.5.0.02,7.09,11]trideca-1,3,5,7,12-pentaene has a molecular weight of 168.19 g/mol, XLogP of 0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxatetracyclo[6.5.0.02,7.09,11]trideca-1,3,5,7,12-pentaene is sourced from PubChem (CID 87407906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).