6-chloro-2,6-dimethylnon-2-ene

C11H21Cl — CID 15140241

IUPAC6-chloro-2,6-dimethylnon-2-ene
SMILESCCCC(C)(Cl)CCC=C(C)C
InChIInChI=1S/C11H21Cl/c1-5-8-11(4,12)9-6-7-10(2)3/h7H,5-6,8-9H2,1-4H3
InChIKeyLUVOFZAYBVTZSF-UHFFFAOYSA-N
MW188.74 g/mol
LogP4.53
Rot. Bonds5

About 6-chloro-2,6-dimethylnon-2-ene

6-chloro-2,6-dimethylnon-2-ene (PubChem CID 15140241) has the molecular formula C11H21Cl and a molecular weight of 188.74 g/mol. Its IUPAC name is 6-chloro-2,6-dimethylnon-2-ene.

Molecular Properties

Compound Name6-chloro-2,6-dimethylnon-2-ene
PubChem CID15140241
Molecular FormulaC11H21Cl
Molecular Weight188.74 g/mol
Exact Mass188.13
IUPAC Name6-chloro-2,6-dimethylnon-2-ene
SMILESCCCC(C)(Cl)CCC=C(C)C
InChIInChI=1S/C11H21Cl/c1-5-8-11(4,12)9-6-7-10(2)3/h7H,5-6,8-9H2,1-4H3
InChIKeyLUVOFZAYBVTZSF-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.74
LogP ≤ 54.53
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 6-chloro-2,6-dimethylnon-2-ene?
The IUPAC name of 6-chloro-2,6-dimethylnon-2-ene (CID 15140241) is 6-chloro-2,6-dimethylnon-2-ene.
What is the SMILES notation for 6-chloro-2,6-dimethylnon-2-ene?
The canonical SMILES for 6-chloro-2,6-dimethylnon-2-ene is CCCC(C)(Cl)CCC=C(C)C.
What is the InChIKey of 6-chloro-2,6-dimethylnon-2-ene?
The InChIKey is LUVOFZAYBVTZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Cl/c1-5-8-11(4,12)9-6-7-10(2)3/h7H,5-6,8-9H2,1-4H3.
What are the key properties of 6-chloro-2,6-dimethylnon-2-ene?
6-chloro-2,6-dimethylnon-2-ene has a molecular weight of 188.74 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,6-dimethylnon-2-ene is sourced from PubChem (CID 15140241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).