5,12-dichlorotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene

C16H14Cl2 — CID 11065727

IUPAC5,12-dichlorotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
SMILESClc1cc2ccc1CCc1ccc(cc1Cl)CC2
InChIInChI=1S/C16H14Cl2/c17-15-9-11-1-2-12-4-6-14(16(18)10-12)8-7-13(15)5-3-11/h3-6,9-10H,1-2,7-8H2
InChIKeyKAWOYOQFRXSZQI-UHFFFAOYSA-N
MW277.19 g/mol
LogP4.88
Rot. Bonds

About 5,12-dichlorotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene

5,12-dichlorotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene (PubChem CID 11065727) has the molecular formula C16H14Cl2 and a molecular weight of 277.19 g/mol. Its IUPAC name is 5,12-dichlorotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene.

Molecular Properties

Compound Name5,12-dichlorotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
PubChem CID11065727
Molecular FormulaC16H14Cl2
Molecular Weight277.19 g/mol
Exact Mass276.05
IUPAC Name5,12-dichlorotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
SMILESClc1cc2ccc1CCc1ccc(cc1Cl)CC2
InChIInChI=1S/C16H14Cl2/c17-15-9-11-1-2-12-4-6-14(16(18)10-12)8-7-13(15)5-3-11/h3-6,9-10H,1-2,7-8H2
InChIKeyKAWOYOQFRXSZQI-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,12-dichlorotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The IUPAC name of 5,12-dichlorotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene (CID 11065727) is 5,12-dichlorotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene.
What is the SMILES notation for 5,12-dichlorotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The canonical SMILES for 5,12-dichlorotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene is Clc1cc2ccc1CCc1ccc(cc1Cl)CC2.
What is the InChIKey of 5,12-dichlorotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The InChIKey is KAWOYOQFRXSZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2/c17-15-9-11-1-2-12-4-6-14(16(18)10-12)8-7-13(15)5-3-11/h3-6,9-10H,1-2,7-8H2.
What are the key properties of 5,12-dichlorotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
5,12-dichlorotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene has a molecular weight of 277.19 g/mol, XLogP of 4.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-dichlorotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene is sourced from PubChem (CID 11065727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).