3,6-dichloro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

C10H6Cl2O — CID 14342723

IUPAC3,6-dichloro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
SMILESClc1ccc(Cl)c2c1C1C=CC2O1
InChIInChI=1S/C10H6Cl2O/c11-5-1-2-6(12)10-8-4-3-7(13-8)9(5)10/h1-4,7-8H
InChIKeyHWTBAKZNEWDVHA-UHFFFAOYSA-N
MW213.06 g/mol
LogP3.68
Rot. Bonds

About 3,6-dichloro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

3,6-dichloro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene (PubChem CID 14342723) has the molecular formula C10H6Cl2O and a molecular weight of 213.06 g/mol. Its IUPAC name is 3,6-dichloro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene.

Molecular Properties

Compound Name3,6-dichloro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
PubChem CID14342723
Molecular FormulaC10H6Cl2O
Molecular Weight213.06 g/mol
Exact Mass211.98
IUPAC Name3,6-dichloro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
SMILESClc1ccc(Cl)c2c1C1C=CC2O1
InChIInChI=1S/C10H6Cl2O/c11-5-1-2-6(12)10-8-4-3-7(13-8)9(5)10/h1-4,7-8H
InChIKeyHWTBAKZNEWDVHA-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.06
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The IUPAC name of 3,6-dichloro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene (CID 14342723) is 3,6-dichloro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene.
What is the SMILES notation for 3,6-dichloro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The canonical SMILES for 3,6-dichloro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene is Clc1ccc(Cl)c2c1C1C=CC2O1.
What is the InChIKey of 3,6-dichloro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The InChIKey is HWTBAKZNEWDVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2O/c11-5-1-2-6(12)10-8-4-3-7(13-8)9(5)10/h1-4,7-8H.
What are the key properties of 3,6-dichloro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
3,6-dichloro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene has a molecular weight of 213.06 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene is sourced from PubChem (CID 14342723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).