2-(2,2-dibromoethenyl)-3-ethyl-1,1-dimethylcyclopropane

C9H14Br2 — CID 88973040

IUPAC2-(2,2-dibromoethenyl)-3-ethyl-1,1-dimethylcyclopropane
SMILESCCC1C(C=C(Br)Br)C1(C)C
InChIInChI=1S/C9H14Br2/c1-4-6-7(5-8(10)11)9(6,2)3/h5-7H,4H2,1-3H3
InChIKeyXIKLRDGZEMZUBI-UHFFFAOYSA-N
MW282.02 g/mol
LogP4.30
Rot. Bonds2

About 2-(2,2-dibromoethenyl)-3-ethyl-1,1-dimethylcyclopropane

2-(2,2-dibromoethenyl)-3-ethyl-1,1-dimethylcyclopropane (PubChem CID 88973040) has the molecular formula C9H14Br2 and a molecular weight of 282.02 g/mol. Its IUPAC name is 2-(2,2-dibromoethenyl)-3-ethyl-1,1-dimethylcyclopropane.

Molecular Properties

Compound Name2-(2,2-dibromoethenyl)-3-ethyl-1,1-dimethylcyclopropane
PubChem CID88973040
Molecular FormulaC9H14Br2
Molecular Weight282.02 g/mol
Exact Mass279.95
IUPAC Name2-(2,2-dibromoethenyl)-3-ethyl-1,1-dimethylcyclopropane
SMILESCCC1C(C=C(Br)Br)C1(C)C
InChIInChI=1S/C9H14Br2/c1-4-6-7(5-8(10)11)9(6,2)3/h5-7H,4H2,1-3H3
InChIKeyXIKLRDGZEMZUBI-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.02
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dibromoethenyl)-3-ethyl-1,1-dimethylcyclopropane?
The IUPAC name of 2-(2,2-dibromoethenyl)-3-ethyl-1,1-dimethylcyclopropane (CID 88973040) is 2-(2,2-dibromoethenyl)-3-ethyl-1,1-dimethylcyclopropane.
What is the SMILES notation for 2-(2,2-dibromoethenyl)-3-ethyl-1,1-dimethylcyclopropane?
The canonical SMILES for 2-(2,2-dibromoethenyl)-3-ethyl-1,1-dimethylcyclopropane is CCC1C(C=C(Br)Br)C1(C)C.
What is the InChIKey of 2-(2,2-dibromoethenyl)-3-ethyl-1,1-dimethylcyclopropane?
The InChIKey is XIKLRDGZEMZUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Br2/c1-4-6-7(5-8(10)11)9(6,2)3/h5-7H,4H2,1-3H3.
What are the key properties of 2-(2,2-dibromoethenyl)-3-ethyl-1,1-dimethylcyclopropane?
2-(2,2-dibromoethenyl)-3-ethyl-1,1-dimethylcyclopropane has a molecular weight of 282.02 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dibromoethenyl)-3-ethyl-1,1-dimethylcyclopropane is sourced from PubChem (CID 88973040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).