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

C10H14Cl2 — CID 121299413

IUPAC1,5-dichloro-2,3,4,6-tetramethylcyclohexa-1,3-diene
SMILESCC1=C(Cl)C(C)C(Cl)C(C)=C1C
InChIInChI=1S/C10H14Cl2/c1-5-6(2)9(11)8(4)10(12)7(5)3/h8-9H,1-4H3
InChIKeyWIRDYPHASJSCRI-UHFFFAOYSA-N
MW205.13 g/mol
LogP4.09
Rot. Bonds

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

1,5-dichloro-2,3,4,6-tetramethylcyclohexa-1,3-diene (PubChem CID 121299413) has the molecular formula C10H14Cl2 and a molecular weight of 205.13 g/mol. Its IUPAC name is 1,5-dichloro-2,3,4,6-tetramethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,5-dichloro-2,3,4,6-tetramethylcyclohexa-1,3-diene
PubChem CID121299413
Molecular FormulaC10H14Cl2
Molecular Weight205.13 g/mol
Exact Mass204.05
IUPAC Name1,5-dichloro-2,3,4,6-tetramethylcyclohexa-1,3-diene
SMILESCC1=C(Cl)C(C)C(Cl)C(C)=C1C
InChIInChI=1S/C10H14Cl2/c1-5-6(2)9(11)8(4)10(12)7(5)3/h8-9H,1-4H3
InChIKeyWIRDYPHASJSCRI-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

1,2-Dichloro-3-fluoro-4-propan-2-ylcyclohexa-1,3-diene
CID 155136709
1,5-Bis(chloromethyl)-m-xylene
CID 129868283
3,5-Dichloro-1,6-dimethylcyclohexa-1,3-diene
CID 68320929
4,6-Dichloro-1,5,5-trimethylcyclohexa-1,3-diene
CID 70397057
1,5,6-Trichloro-2,4,6-trimethylcyclohexa-1,3-diene
CID 70398610
1,3,5-Trichloro-2,4,5-trimethylcyclohexa-1,3-diene
CID 70400329
5-(Chloromethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 89352533
(6R)-1,5-dichloro-4,6-dimethylcyclohexa-1,3-diene
CID 89352638
3,5-Dichloro-2-propan-2-ylcyclohexa-1,3-diene
CID 91355833
5-Chloro-1,4,6-trimethylcyclohexa-1,3-diene
CID 123414531
6-Chloro-1-propan-2-ylcyclohexa-1,3-diene
CID 129209152
2,4-Dichloro-1,5-dimethylcyclohexa-1,3-diene
CID 130183380

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-2,3,4,6-tetramethylcyclohexa-1,3-diene?
The IUPAC name of 1,5-dichloro-2,3,4,6-tetramethylcyclohexa-1,3-diene (CID 121299413) is 1,5-dichloro-2,3,4,6-tetramethylcyclohexa-1,3-diene.
What is the SMILES notation for 1,5-dichloro-2,3,4,6-tetramethylcyclohexa-1,3-diene?
The canonical SMILES for 1,5-dichloro-2,3,4,6-tetramethylcyclohexa-1,3-diene is CC1=C(Cl)C(C)C(Cl)C(C)=C1C.
What is the InChIKey of 1,5-dichloro-2,3,4,6-tetramethylcyclohexa-1,3-diene?
The InChIKey is WIRDYPHASJSCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2/c1-5-6(2)9(11)8(4)10(12)7(5)3/h8-9H,1-4H3.
What are the key properties of 1,5-dichloro-2,3,4,6-tetramethylcyclohexa-1,3-diene?
1,5-dichloro-2,3,4,6-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 1,5-dichloro-2,3,4,6-tetramethylcyclohexa-1,3-diene is sourced from PubChem (CID 121299413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).