5,5-dichloro-2-methylhex-2-ene

C7H12Cl2 — CID 13416719

IUPAC5,5-dichloro-2-methylhex-2-ene
SMILESCC(C)=CCC(C)(Cl)Cl
InChIInChI=1S/C7H12Cl2/c1-6(2)4-5-7(3,8)9/h4H,5H2,1-3H3
InChIKeyMYIBPROHHAGXCG-UHFFFAOYSA-N
MW167.08 g/mol
LogP3.54
Rot. Bonds2

About 5,5-dichloro-2-methylhex-2-ene

5,5-dichloro-2-methylhex-2-ene (PubChem CID 13416719) has the molecular formula C7H12Cl2 and a molecular weight of 167.08 g/mol. Its IUPAC name is 5,5-dichloro-2-methylhex-2-ene.

Molecular Properties

Compound Name5,5-dichloro-2-methylhex-2-ene
PubChem CID13416719
Molecular FormulaC7H12Cl2
Molecular Weight167.08 g/mol
Exact Mass166.03
IUPAC Name5,5-dichloro-2-methylhex-2-ene
SMILESCC(C)=CCC(C)(Cl)Cl
InChIInChI=1S/C7H12Cl2/c1-6(2)4-5-7(3,8)9/h4H,5H2,1-3H3
InChIKeyMYIBPROHHAGXCG-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.08
LogP ≤ 53.54
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 5,5-dichloro-2-methylhex-2-ene?
The IUPAC name of 5,5-dichloro-2-methylhex-2-ene (CID 13416719) is 5,5-dichloro-2-methylhex-2-ene.
What is the SMILES notation for 5,5-dichloro-2-methylhex-2-ene?
The canonical SMILES for 5,5-dichloro-2-methylhex-2-ene is CC(C)=CCC(C)(Cl)Cl.
What is the InChIKey of 5,5-dichloro-2-methylhex-2-ene?
The InChIKey is MYIBPROHHAGXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2/c1-6(2)4-5-7(3,8)9/h4H,5H2,1-3H3.
What are the key properties of 5,5-dichloro-2-methylhex-2-ene?
5,5-dichloro-2-methylhex-2-ene has a molecular weight of 167.08 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dichloro-2-methylhex-2-ene is sourced from PubChem (CID 13416719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).