6,7,8,9-tetrachloro-1,2,3,4,4a,5,10,10a-octahydroanthracene

C14H14Cl4 — CID 163507629

IUPAC6,7,8,9-tetrachloro-1,2,3,4,4a,5,10,10a-octahydroanthracene
SMILESClC1=C(Cl)C(Cl)=C2C(Cl)=C3CCCCC3CC2C1
InChIInChI=1S/C14H14Cl4/c15-10-6-8-5-7-3-1-2-4-9(7)12(16)11(8)14(18)13(10)17/h7-8H,1-6H2
InChIKeyCZWIQEDZUWMGQE-UHFFFAOYSA-N
MW324.08 g/mol
LogP6.28
Rot. Bonds

About 6,7,8,9-tetrachloro-1,2,3,4,4a,5,10,10a-octahydroanthracene

6,7,8,9-tetrachloro-1,2,3,4,4a,5,10,10a-octahydroanthracene (PubChem CID 163507629) has the molecular formula C14H14Cl4 and a molecular weight of 324.08 g/mol. Its IUPAC name is 6,7,8,9-tetrachloro-1,2,3,4,4a,5,10,10a-octahydroanthracene.

Molecular Properties

Compound Name6,7,8,9-tetrachloro-1,2,3,4,4a,5,10,10a-octahydroanthracene
PubChem CID163507629
Molecular FormulaC14H14Cl4
Molecular Weight324.08 g/mol
Exact Mass321.98
IUPAC Name6,7,8,9-tetrachloro-1,2,3,4,4a,5,10,10a-octahydroanthracene
SMILESClC1=C(Cl)C(Cl)=C2C(Cl)=C3CCCCC3CC2C1
InChIInChI=1S/C14H14Cl4/c15-10-6-8-5-7-3-1-2-4-9(7)12(16)11(8)14(18)13(10)17/h7-8H,1-6H2
InChIKeyCZWIQEDZUWMGQE-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.08
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrachloro-1,2,3,4,4a,5,10,10a-octahydroanthracene?
The IUPAC name of 6,7,8,9-tetrachloro-1,2,3,4,4a,5,10,10a-octahydroanthracene (CID 163507629) is 6,7,8,9-tetrachloro-1,2,3,4,4a,5,10,10a-octahydroanthracene.
What is the SMILES notation for 6,7,8,9-tetrachloro-1,2,3,4,4a,5,10,10a-octahydroanthracene?
The canonical SMILES for 6,7,8,9-tetrachloro-1,2,3,4,4a,5,10,10a-octahydroanthracene is ClC1=C(Cl)C(Cl)=C2C(Cl)=C3CCCCC3CC2C1.
What is the InChIKey of 6,7,8,9-tetrachloro-1,2,3,4,4a,5,10,10a-octahydroanthracene?
The InChIKey is CZWIQEDZUWMGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl4/c15-10-6-8-5-7-3-1-2-4-9(7)12(16)11(8)14(18)13(10)17/h7-8H,1-6H2.
What are the key properties of 6,7,8,9-tetrachloro-1,2,3,4,4a,5,10,10a-octahydroanthracene?
6,7,8,9-tetrachloro-1,2,3,4,4a,5,10,10a-octahydroanthracene has a molecular weight of 324.08 g/mol, XLogP of 6.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrachloro-1,2,3,4,4a,5,10,10a-octahydroanthracene is sourced from PubChem (CID 163507629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).