2,3,5,6-tetrachloro-5,6-dimethylcyclohexa-1,3-dien-1-ol

C8H8Cl4O — CID 174395099

IUPAC2,3,5,6-tetrachloro-5,6-dimethylcyclohexa-1,3-dien-1-ol
SMILESCC1(Cl)C=C(Cl)C(Cl)=C(O)C1(C)Cl
InChIInChI=1S/C8H8Cl4O/c1-7(11)3-4(9)5(10)6(13)8(7,2)12/h3,13H,1-2H3
InChIKeyXNMLAZOPKIJFIW-UHFFFAOYSA-N
MW261.96 g/mol
LogP4.13
Rot. Bonds

About 2,3,5,6-tetrachloro-5,6-dimethylcyclohexa-1,3-dien-1-ol

2,3,5,6-tetrachloro-5,6-dimethylcyclohexa-1,3-dien-1-ol (PubChem CID 174395099) has the molecular formula C8H8Cl4O and a molecular weight of 261.96 g/mol. Its IUPAC name is 2,3,5,6-tetrachloro-5,6-dimethylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2,3,5,6-tetrachloro-5,6-dimethylcyclohexa-1,3-dien-1-ol
PubChem CID174395099
Molecular FormulaC8H8Cl4O
Molecular Weight261.96 g/mol
Exact Mass259.93
IUPAC Name2,3,5,6-tetrachloro-5,6-dimethylcyclohexa-1,3-dien-1-ol
SMILESCC1(Cl)C=C(Cl)C(Cl)=C(O)C1(C)Cl
InChIInChI=1S/C8H8Cl4O/c1-7(11)3-4(9)5(10)6(13)8(7,2)12/h3,13H,1-2H3
InChIKeyXNMLAZOPKIJFIW-UHFFFAOYSA-N
XLogP4.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.96
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrachloro-5,6-dimethylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 2,3,5,6-tetrachloro-5,6-dimethylcyclohexa-1,3-dien-1-ol (CID 174395099) is 2,3,5,6-tetrachloro-5,6-dimethylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2,3,5,6-tetrachloro-5,6-dimethylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2,3,5,6-tetrachloro-5,6-dimethylcyclohexa-1,3-dien-1-ol is CC1(Cl)C=C(Cl)C(Cl)=C(O)C1(C)Cl.
What is the InChIKey of 2,3,5,6-tetrachloro-5,6-dimethylcyclohexa-1,3-dien-1-ol?
The InChIKey is XNMLAZOPKIJFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl4O/c1-7(11)3-4(9)5(10)6(13)8(7,2)12/h3,13H,1-2H3.
What are the key properties of 2,3,5,6-tetrachloro-5,6-dimethylcyclohexa-1,3-dien-1-ol?
2,3,5,6-tetrachloro-5,6-dimethylcyclohexa-1,3-dien-1-ol has a molecular weight of 261.96 g/mol, XLogP of 4.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrachloro-5,6-dimethylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 174395099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).