1,3-dicyclopropyl-2-(2,2-dibromoethenyl)benzene

C14H14Br2 — CID 58951765

IUPAC1,3-dicyclopropyl-2-(2,2-dibromoethenyl)benzene
SMILESBrC(Br)=Cc1c(C2CC2)cccc1C1CC1
InChIInChI=1S/C14H14Br2/c15-14(16)8-13-11(9-4-5-9)2-1-3-12(13)10-6-7-10/h1-3,8-10H,4-7H2
InChIKeyOIQJOXSLPOKEDY-UHFFFAOYSA-N
MW342.07 g/mol
LogP5.53
Rot. Bonds3

About 1,3-dicyclopropyl-2-(2,2-dibromoethenyl)benzene

1,3-dicyclopropyl-2-(2,2-dibromoethenyl)benzene (PubChem CID 58951765) has the molecular formula C14H14Br2 and a molecular weight of 342.07 g/mol. Its IUPAC name is 1,3-dicyclopropyl-2-(2,2-dibromoethenyl)benzene.

Molecular Properties

Compound Name1,3-dicyclopropyl-2-(2,2-dibromoethenyl)benzene
PubChem CID58951765
Molecular FormulaC14H14Br2
Molecular Weight342.07 g/mol
Exact Mass339.95
IUPAC Name1,3-dicyclopropyl-2-(2,2-dibromoethenyl)benzene
SMILESBrC(Br)=Cc1c(C2CC2)cccc1C1CC1
InChIInChI=1S/C14H14Br2/c15-14(16)8-13-11(9-4-5-9)2-1-3-12(13)10-6-7-10/h1-3,8-10H,4-7H2
InChIKeyOIQJOXSLPOKEDY-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.07
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclopropyl-2-(2,2-dibromoethenyl)benzene?
The IUPAC name of 1,3-dicyclopropyl-2-(2,2-dibromoethenyl)benzene (CID 58951765) is 1,3-dicyclopropyl-2-(2,2-dibromoethenyl)benzene.
What is the SMILES notation for 1,3-dicyclopropyl-2-(2,2-dibromoethenyl)benzene?
The canonical SMILES for 1,3-dicyclopropyl-2-(2,2-dibromoethenyl)benzene is BrC(Br)=Cc1c(C2CC2)cccc1C1CC1.
What is the InChIKey of 1,3-dicyclopropyl-2-(2,2-dibromoethenyl)benzene?
The InChIKey is OIQJOXSLPOKEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2/c15-14(16)8-13-11(9-4-5-9)2-1-3-12(13)10-6-7-10/h1-3,8-10H,4-7H2.
What are the key properties of 1,3-dicyclopropyl-2-(2,2-dibromoethenyl)benzene?
1,3-dicyclopropyl-2-(2,2-dibromoethenyl)benzene has a molecular weight of 342.07 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclopropyl-2-(2,2-dibromoethenyl)benzene is sourced from PubChem (CID 58951765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).