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

C10H14Cl2 — CID 18947381

IUPAC2,5-dichloro-1,3,5,6-tetramethylcyclohexa-1,3-diene
SMILESCC1=CC(C)(Cl)C(C)C(C)=C1Cl
InChIInChI=1S/C10H14Cl2/c1-6-5-10(4,12)8(3)7(2)9(6)11/h5,8H,1-4H3
InChIKeyVXDWCEODBNCFDU-UHFFFAOYSA-N
MW205.13 g/mol
LogP4.09
Rot. Bonds

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

2,5-dichloro-1,3,5,6-tetramethylcyclohexa-1,3-diene (PubChem CID 18947381) has the molecular formula C10H14Cl2 and a molecular weight of 205.13 g/mol. Its IUPAC name is 2,5-dichloro-1,3,5,6-tetramethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2,5-dichloro-1,3,5,6-tetramethylcyclohexa-1,3-diene
PubChem CID18947381
Molecular FormulaC10H14Cl2
Molecular Weight205.13 g/mol
Exact Mass204.05
IUPAC Name2,5-dichloro-1,3,5,6-tetramethylcyclohexa-1,3-diene
SMILESCC1=CC(C)(Cl)C(C)C(C)=C1Cl
InChIInChI=1S/C10H14Cl2/c1-6-5-10(4,12)8(3)7(2)9(6)11/h5,8H,1-4H3
InChIKeyVXDWCEODBNCFDU-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'}

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Related Compounds

2-Chloro-2-propylbenzene
CID 19378283
1,5-Dichloro-5,6-dimethylcyclohexa-1,3-diene
CID 67785401
6-Chloro-2,5,6-trimethylhept-2-ene
CID 13419840
6-Chloro-2,6,7-trimethyloct-2-ene
CID 170848975
7-Chloro-2,6,7-trimethyloct-2-ene
CID 170849035
4-Chloro-5-fluoro-1,5-dimethylcyclohexa-1,3-diene
CID 68396100
1-Chloro-3-(1,1-difluoroethyl)-6-propan-2-ylcyclohexa-1,3-diene
CID 70841603
1-Chloro-2-(3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 126661648
6-Chloro-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene
CID 134267849
1-Chloro-6-fluoro-4,5-dimethylcyclohexa-1,3-diene
CID 134365636
1-Chloro-5-(2-chloropropan-2-yl)-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 141079828
1-Chloro-5-ethyl-3-fluorocyclohexa-1,3-diene
CID 146388293

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-1,3,5,6-tetramethylcyclohexa-1,3-diene?
The IUPAC name of 2,5-dichloro-1,3,5,6-tetramethylcyclohexa-1,3-diene (CID 18947381) is 2,5-dichloro-1,3,5,6-tetramethylcyclohexa-1,3-diene.
What is the SMILES notation for 2,5-dichloro-1,3,5,6-tetramethylcyclohexa-1,3-diene?
The canonical SMILES for 2,5-dichloro-1,3,5,6-tetramethylcyclohexa-1,3-diene is CC1=CC(C)(Cl)C(C)C(C)=C1Cl.
What is the InChIKey of 2,5-dichloro-1,3,5,6-tetramethylcyclohexa-1,3-diene?
The InChIKey is VXDWCEODBNCFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2/c1-6-5-10(4,12)8(3)7(2)9(6)11/h5,8H,1-4H3.
What are the key properties of 2,5-dichloro-1,3,5,6-tetramethylcyclohexa-1,3-diene?
2,5-dichloro-1,3,5,6-tetramethylcyclohexa-1,3-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 2,5-dichloro-1,3,5,6-tetramethylcyclohexa-1,3-diene is sourced from PubChem (CID 18947381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).