5,6,7,8-tetrachloro-1,2,3,4-tetrahydronaphthalene

C10H8Cl4 — CID 518479

IUPAC5,6,7,8-tetrachloro-1,2,3,4-tetrahydronaphthalene
SMILESClc1c(Cl)c(Cl)c2c(c1Cl)CCCC2
InChIInChI=1S/C10H8Cl4/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4H2
InChIKeyWHHKXBGHEPIYII-UHFFFAOYSA-N
MW269.99 g/mol
LogP5.18
Rot. Bonds

About 5,6,7,8-tetrachloro-1,2,3,4-tetrahydronaphthalene

5,6,7,8-tetrachloro-1,2,3,4-tetrahydronaphthalene (PubChem CID 518479) has the molecular formula C10H8Cl4 and a molecular weight of 269.99 g/mol. Its IUPAC name is 5,6,7,8-tetrachloro-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name5,6,7,8-tetrachloro-1,2,3,4-tetrahydronaphthalene
PubChem CID518479
Molecular FormulaC10H8Cl4
Molecular Weight269.99 g/mol
Exact Mass267.94
IUPAC Name5,6,7,8-tetrachloro-1,2,3,4-tetrahydronaphthalene
SMILESClc1c(Cl)c(Cl)c2c(c1Cl)CCCC2
InChIInChI=1S/C10H8Cl4/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4H2
InChIKeyWHHKXBGHEPIYII-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.99
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrachloro-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 5,6,7,8-tetrachloro-1,2,3,4-tetrahydronaphthalene (CID 518479) is 5,6,7,8-tetrachloro-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 5,6,7,8-tetrachloro-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 5,6,7,8-tetrachloro-1,2,3,4-tetrahydronaphthalene is Clc1c(Cl)c(Cl)c2c(c1Cl)CCCC2.
What is the InChIKey of 5,6,7,8-tetrachloro-1,2,3,4-tetrahydronaphthalene?
The InChIKey is WHHKXBGHEPIYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl4/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4H2.
What are the key properties of 5,6,7,8-tetrachloro-1,2,3,4-tetrahydronaphthalene?
5,6,7,8-tetrachloro-1,2,3,4-tetrahydronaphthalene has a molecular weight of 269.99 g/mol, XLogP of 5.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrachloro-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 518479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).