1-(3,4-dichlorobutyl)-2-ethenylbenzene

C12H14Cl2 — CID 66808199

IUPAC1-(3,4-dichlorobutyl)-2-ethenylbenzene
SMILESC=Cc1ccccc1CCC(Cl)CCl
InChIInChI=1S/C12H14Cl2/c1-2-10-5-3-4-6-11(10)7-8-12(14)9-13/h2-6,12H,1,7-9H2
InChIKeyJYLPKTAGNQPFIZ-UHFFFAOYSA-N
MW229.15 g/mol
LogP4.11
Rot. Bonds5

About 1-(3,4-dichlorobutyl)-2-ethenylbenzene

1-(3,4-dichlorobutyl)-2-ethenylbenzene (PubChem CID 66808199) has the molecular formula C12H14Cl2 and a molecular weight of 229.15 g/mol. Its IUPAC name is 1-(3,4-dichlorobutyl)-2-ethenylbenzene.

Molecular Properties

Compound Name1-(3,4-dichlorobutyl)-2-ethenylbenzene
PubChem CID66808199
Molecular FormulaC12H14Cl2
Molecular Weight229.15 g/mol
Exact Mass228.05
IUPAC Name1-(3,4-dichlorobutyl)-2-ethenylbenzene
SMILESC=Cc1ccccc1CCC(Cl)CCl
InChIInChI=1S/C12H14Cl2/c1-2-10-5-3-4-6-11(10)7-8-12(14)9-13/h2-6,12H,1,7-9H2
InChIKeyJYLPKTAGNQPFIZ-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[(3R)-3,4-dichlorobutyl]benzene
CID 129394752
1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene
CID 22572053
1-ethenyl-2-pentylbenzene
CID 22171756
CID 23499942
CID 23499942
1-(7-bromoheptyl)-2-ethenylbenzene
CID 22468213
1,2-bis(ethenyl)benzene;1-ethenyl-2-ethylbenzene
CID 18622340
1-ethenyl-2-(2-ethylbutyl)benzene
CID 22475782
acetonitrile;1-butyl-2-ethenylbenzene
CID 18674742
5-(2-ethenylphenyl)pentanoic acid
CID 91512730
1-chloro-4-[(2-ethenylphenyl)methyl]benzene
CID 21218414
1-ethenyl-2-[2-[(2-ethenylphenyl)methoxy]ethoxymethyl]benzene
CID 86246407
CID 66766935
CID 66766935

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorobutyl)-2-ethenylbenzene?
The IUPAC name of 1-(3,4-dichlorobutyl)-2-ethenylbenzene (CID 66808199) is 1-(3,4-dichlorobutyl)-2-ethenylbenzene.
What is the SMILES notation for 1-(3,4-dichlorobutyl)-2-ethenylbenzene?
The canonical SMILES for 1-(3,4-dichlorobutyl)-2-ethenylbenzene is C=Cc1ccccc1CCC(Cl)CCl.
What is the InChIKey of 1-(3,4-dichlorobutyl)-2-ethenylbenzene?
The InChIKey is JYLPKTAGNQPFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2/c1-2-10-5-3-4-6-11(10)7-8-12(14)9-13/h2-6,12H,1,7-9H2.
What are the key properties of 1-(3,4-dichlorobutyl)-2-ethenylbenzene?
1-(3,4-dichlorobutyl)-2-ethenylbenzene has a molecular weight of 229.15 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorobutyl)-2-ethenylbenzene is sourced from PubChem (CID 66808199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).