5,6-dichloro-2,5-dimethoxy-3,6-dimethylcyclohexa-1,3-diene

C10H14Cl2O2 — CID 19609446

IUPAC5,6-dichloro-2,5-dimethoxy-3,6-dimethylcyclohexa-1,3-diene
SMILESCOC1=CC(C)(Cl)C(Cl)(OC)C=C1C
InChIInChI=1S/C10H14Cl2O2/c1-7-5-10(12,14-4)9(2,11)6-8(7)13-3/h5-6H,1-4H3
InChIKeyURJWEJQKOJIMFY-UHFFFAOYSA-N
MW237.13 g/mol
LogP3.06
Rot. Bonds2

About 5,6-dichloro-2,5-dimethoxy-3,6-dimethylcyclohexa-1,3-diene

5,6-dichloro-2,5-dimethoxy-3,6-dimethylcyclohexa-1,3-diene (PubChem CID 19609446) has the molecular formula C10H14Cl2O2 and a molecular weight of 237.13 g/mol. Its IUPAC name is 5,6-dichloro-2,5-dimethoxy-3,6-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5,6-dichloro-2,5-dimethoxy-3,6-dimethylcyclohexa-1,3-diene
PubChem CID19609446
Molecular FormulaC10H14Cl2O2
Molecular Weight237.13 g/mol
Exact Mass236.04
IUPAC Name5,6-dichloro-2,5-dimethoxy-3,6-dimethylcyclohexa-1,3-diene
SMILESCOC1=CC(C)(Cl)C(Cl)(OC)C=C1C
InChIInChI=1S/C10H14Cl2O2/c1-7-5-10(12,14-4)9(2,11)6-8(7)13-3/h5-6H,1-4H3
InChIKeyURJWEJQKOJIMFY-UHFFFAOYSA-N
XLogP3.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5,6-dichloro-2,5-dimethoxy-3,6-dimethylcyclohexa-1,3-diene?
The IUPAC name of 5,6-dichloro-2,5-dimethoxy-3,6-dimethylcyclohexa-1,3-diene (CID 19609446) is 5,6-dichloro-2,5-dimethoxy-3,6-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 5,6-dichloro-2,5-dimethoxy-3,6-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 5,6-dichloro-2,5-dimethoxy-3,6-dimethylcyclohexa-1,3-diene is COC1=CC(C)(Cl)C(Cl)(OC)C=C1C.
What is the InChIKey of 5,6-dichloro-2,5-dimethoxy-3,6-dimethylcyclohexa-1,3-diene?
The InChIKey is URJWEJQKOJIMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2O2/c1-7-5-10(12,14-4)9(2,11)6-8(7)13-3/h5-6H,1-4H3.
What are the key properties of 5,6-dichloro-2,5-dimethoxy-3,6-dimethylcyclohexa-1,3-diene?
5,6-dichloro-2,5-dimethoxy-3,6-dimethylcyclohexa-1,3-diene has a molecular weight of 237.13 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2,5-dimethoxy-3,6-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 19609446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).