4,5-dichloro-2,5-dimethylhex-2-ene

C8H14Cl2 — CID 519998

IUPAC4,5-dichloro-2,5-dimethylhex-2-ene
SMILESCC(C)=CC(Cl)C(C)(C)Cl
InChIInChI=1S/C8H14Cl2/c1-6(2)5-7(9)8(3,4)10/h5,7H,1-4H3
InChIKeyOQGJAXHJJNMURO-UHFFFAOYSA-N
MW181.11 g/mol
LogP3.58
Rot. Bonds2

About 4,5-dichloro-2,5-dimethylhex-2-ene

4,5-dichloro-2,5-dimethylhex-2-ene (PubChem CID 519998) has the molecular formula C8H14Cl2 and a molecular weight of 181.11 g/mol. Its IUPAC name is 4,5-dichloro-2,5-dimethylhex-2-ene.

Molecular Properties

Compound Name4,5-dichloro-2,5-dimethylhex-2-ene
PubChem CID519998
Molecular FormulaC8H14Cl2
Molecular Weight181.11 g/mol
Exact Mass180.05
IUPAC Name4,5-dichloro-2,5-dimethylhex-2-ene
SMILESCC(C)=CC(Cl)C(C)(C)Cl
InChIInChI=1S/C8H14Cl2/c1-6(2)5-7(9)8(3,4)10/h5,7H,1-4H3
InChIKeyOQGJAXHJJNMURO-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.11
LogP ≤ 53.58
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 4,5-dichloro-2,5-dimethylhex-2-ene?
The IUPAC name of 4,5-dichloro-2,5-dimethylhex-2-ene (CID 519998) is 4,5-dichloro-2,5-dimethylhex-2-ene.
What is the SMILES notation for 4,5-dichloro-2,5-dimethylhex-2-ene?
The canonical SMILES for 4,5-dichloro-2,5-dimethylhex-2-ene is CC(C)=CC(Cl)C(C)(C)Cl.
What is the InChIKey of 4,5-dichloro-2,5-dimethylhex-2-ene?
The InChIKey is OQGJAXHJJNMURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Cl2/c1-6(2)5-7(9)8(3,4)10/h5,7H,1-4H3.
What are the key properties of 4,5-dichloro-2,5-dimethylhex-2-ene?
4,5-dichloro-2,5-dimethylhex-2-ene has a molecular weight of 181.11 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2,5-dimethylhex-2-ene is sourced from PubChem (CID 519998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).