2,4-dichloro-1,5-dimethylcyclohexa-1,3-diene

C8H10Cl2 — CID 130183380

IUPAC2,4-dichloro-1,5-dimethylcyclohexa-1,3-diene
SMILESCC1=C(Cl)C=C(Cl)C(C)C1
InChIInChI=1S/C8H10Cl2/c1-5-3-6(2)8(10)4-7(5)9/h4-5H,3H2,1-2H3
InChIKeyOWMGFPQONPQKSU-UHFFFAOYSA-N
MW177.07 g/mol
LogP3.66
Rot. Bonds

About 2,4-dichloro-1,5-dimethylcyclohexa-1,3-diene

2,4-dichloro-1,5-dimethylcyclohexa-1,3-diene (PubChem CID 130183380) has the molecular formula C8H10Cl2 and a molecular weight of 177.07 g/mol. Its IUPAC name is 2,4-dichloro-1,5-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2,4-dichloro-1,5-dimethylcyclohexa-1,3-diene
PubChem CID130183380
Molecular FormulaC8H10Cl2
Molecular Weight177.07 g/mol
Exact Mass176.02
IUPAC Name2,4-dichloro-1,5-dimethylcyclohexa-1,3-diene
SMILESCC1=C(Cl)C=C(Cl)C(C)C1
InChIInChI=1S/C8H10Cl2/c1-5-3-6(2)8(10)4-7(5)9/h4-5H,3H2,1-2H3
InChIKeyOWMGFPQONPQKSU-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.07
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1,5-dimethylcyclohexa-1,3-diene?
The IUPAC name of 2,4-dichloro-1,5-dimethylcyclohexa-1,3-diene (CID 130183380) is 2,4-dichloro-1,5-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 2,4-dichloro-1,5-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 2,4-dichloro-1,5-dimethylcyclohexa-1,3-diene is CC1=C(Cl)C=C(Cl)C(C)C1.
What is the InChIKey of 2,4-dichloro-1,5-dimethylcyclohexa-1,3-diene?
The InChIKey is OWMGFPQONPQKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2/c1-5-3-6(2)8(10)4-7(5)9/h4-5H,3H2,1-2H3.
What are the key properties of 2,4-dichloro-1,5-dimethylcyclohexa-1,3-diene?
2,4-dichloro-1,5-dimethylcyclohexa-1,3-diene has a molecular weight of 177.07 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1,5-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 130183380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).