1-butyl-2-(2,2-dibromoethenyl)benzene

C12H14Br2 — CID 141180413

IUPAC1-butyl-2-(2,2-dibromoethenyl)benzene
SMILESCCCCc1ccccc1C=C(Br)Br
InChIInChI=1S/C12H14Br2/c1-2-3-6-10-7-4-5-8-11(10)9-12(13)14/h4-5,7-9H,2-3,6H2,1H3
InChIKeyKITDMAYTUSRZAI-UHFFFAOYSA-N
MW318.05 g/mol
LogP5.12
Rot. Bonds4

About 1-butyl-2-(2,2-dibromoethenyl)benzene

1-butyl-2-(2,2-dibromoethenyl)benzene (PubChem CID 141180413) has the molecular formula C12H14Br2 and a molecular weight of 318.05 g/mol. Its IUPAC name is 1-butyl-2-(2,2-dibromoethenyl)benzene.

Molecular Properties

Compound Name1-butyl-2-(2,2-dibromoethenyl)benzene
PubChem CID141180413
Molecular FormulaC12H14Br2
Molecular Weight318.05 g/mol
Exact Mass315.95
IUPAC Name1-butyl-2-(2,2-dibromoethenyl)benzene
SMILESCCCCc1ccccc1C=C(Br)Br
InChIInChI=1S/C12H14Br2/c1-2-3-6-10-7-4-5-8-11(10)9-12(13)14/h4-5,7-9H,2-3,6H2,1H3
InChIKeyKITDMAYTUSRZAI-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.05
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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acetonitrile;1-butyl-2-ethenylbenzene
CID 18674742
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CID 19847933
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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(2,2-dibromoethenyl)benzene?
The IUPAC name of 1-butyl-2-(2,2-dibromoethenyl)benzene (CID 141180413) is 1-butyl-2-(2,2-dibromoethenyl)benzene.
What is the SMILES notation for 1-butyl-2-(2,2-dibromoethenyl)benzene?
The canonical SMILES for 1-butyl-2-(2,2-dibromoethenyl)benzene is CCCCc1ccccc1C=C(Br)Br.
What is the InChIKey of 1-butyl-2-(2,2-dibromoethenyl)benzene?
The InChIKey is KITDMAYTUSRZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2/c1-2-3-6-10-7-4-5-8-11(10)9-12(13)14/h4-5,7-9H,2-3,6H2,1H3.
What are the key properties of 1-butyl-2-(2,2-dibromoethenyl)benzene?
1-butyl-2-(2,2-dibromoethenyl)benzene has a molecular weight of 318.05 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(2,2-dibromoethenyl)benzene is sourced from PubChem (CID 141180413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).