1-(5-chloropent-2-en-2-yl)-3,5-dimethylbenzene

C13H17Cl — CID 79019956

IUPAC1-(5-chloropent-2-en-2-yl)-3,5-dimethylbenzene
SMILESCC(=CCCCl)c1cc(C)cc(C)c1
InChIInChI=1S/C13H17Cl/c1-10-7-11(2)9-13(8-10)12(3)5-4-6-14/h5,7-9H,4,6H2,1-3H3
InChIKeyXWGHVTJDJHDNCL-UHFFFAOYSA-N
MW208.73 g/mol
LogP4.34
Rot. Bonds3

About 1-(5-chloropent-2-en-2-yl)-3,5-dimethylbenzene

1-(5-chloropent-2-en-2-yl)-3,5-dimethylbenzene (PubChem CID 79019956) has the molecular formula C13H17Cl and a molecular weight of 208.73 g/mol. Its IUPAC name is 1-(5-chloropent-2-en-2-yl)-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-(5-chloropent-2-en-2-yl)-3,5-dimethylbenzene
PubChem CID79019956
Molecular FormulaC13H17Cl
Molecular Weight208.73 g/mol
Exact Mass208.10
IUPAC Name1-(5-chloropent-2-en-2-yl)-3,5-dimethylbenzene
SMILESCC(=CCCCl)c1cc(C)cc(C)c1
InChIInChI=1S/C13H17Cl/c1-10-7-11(2)9-13(8-10)12(3)5-4-6-14/h5,7-9H,4,6H2,1-3H3
InChIKeyXWGHVTJDJHDNCL-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1-(5-chloropent-2-en-2-yl)-3,5-dimethylbenzene?
The IUPAC name of 1-(5-chloropent-2-en-2-yl)-3,5-dimethylbenzene (CID 79019956) is 1-(5-chloropent-2-en-2-yl)-3,5-dimethylbenzene.
What is the SMILES notation for 1-(5-chloropent-2-en-2-yl)-3,5-dimethylbenzene?
The canonical SMILES for 1-(5-chloropent-2-en-2-yl)-3,5-dimethylbenzene is CC(=CCCCl)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(5-chloropent-2-en-2-yl)-3,5-dimethylbenzene?
The InChIKey is XWGHVTJDJHDNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl/c1-10-7-11(2)9-13(8-10)12(3)5-4-6-14/h5,7-9H,4,6H2,1-3H3.
What are the key properties of 1-(5-chloropent-2-en-2-yl)-3,5-dimethylbenzene?
1-(5-chloropent-2-en-2-yl)-3,5-dimethylbenzene has a molecular weight of 208.73 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropent-2-en-2-yl)-3,5-dimethylbenzene is sourced from PubChem (CID 79019956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).