1,3-dichloro-2,3,5,6-tetramethylcyclohexa-1,4-diene

C10H14Cl2 — CID 19098761

IUPAC1,3-dichloro-2,3,5,6-tetramethylcyclohexa-1,4-diene
SMILESCC1=CC(C)(Cl)C(C)=C(Cl)C1C
InChIInChI=1S/C10H14Cl2/c1-6-5-10(4,12)8(3)9(11)7(6)2/h5,7H,1-4H3
InChIKeyJODFSHKKYFFEAD-UHFFFAOYSA-N
MW205.13 g/mol
LogP4.09
Rot. Bonds

About 1,3-dichloro-2,3,5,6-tetramethylcyclohexa-1,4-diene

1,3-dichloro-2,3,5,6-tetramethylcyclohexa-1,4-diene (PubChem CID 19098761) has the molecular formula C10H14Cl2 and a molecular weight of 205.13 g/mol. Its IUPAC name is 1,3-dichloro-2,3,5,6-tetramethylcyclohexa-1,4-diene.

Molecular Properties

Compound Name1,3-dichloro-2,3,5,6-tetramethylcyclohexa-1,4-diene
PubChem CID19098761
Molecular FormulaC10H14Cl2
Molecular Weight205.13 g/mol
Exact Mass204.05
IUPAC Name1,3-dichloro-2,3,5,6-tetramethylcyclohexa-1,4-diene
SMILESCC1=CC(C)(Cl)C(C)=C(Cl)C1C
InChIInChI=1S/C10H14Cl2/c1-6-5-10(4,12)8(3)9(11)7(6)2/h5,7H,1-4H3
InChIKeyJODFSHKKYFFEAD-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2,3,5,6-tetramethylcyclohexa-1,4-diene?
The IUPAC name of 1,3-dichloro-2,3,5,6-tetramethylcyclohexa-1,4-diene (CID 19098761) is 1,3-dichloro-2,3,5,6-tetramethylcyclohexa-1,4-diene.
What is the SMILES notation for 1,3-dichloro-2,3,5,6-tetramethylcyclohexa-1,4-diene?
The canonical SMILES for 1,3-dichloro-2,3,5,6-tetramethylcyclohexa-1,4-diene is CC1=CC(C)(Cl)C(C)=C(Cl)C1C.
What is the InChIKey of 1,3-dichloro-2,3,5,6-tetramethylcyclohexa-1,4-diene?
The InChIKey is JODFSHKKYFFEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2/c1-6-5-10(4,12)8(3)9(11)7(6)2/h5,7H,1-4H3.
What are the key properties of 1,3-dichloro-2,3,5,6-tetramethylcyclohexa-1,4-diene?
1,3-dichloro-2,3,5,6-tetramethylcyclohexa-1,4-diene has a molecular weight of 205.13 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2,3,5,6-tetramethylcyclohexa-1,4-diene is sourced from PubChem (CID 19098761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).