1-(2,2-dibromoethenyl)-1-propylcyclohexane

C11H18Br2 — CID 174402316

IUPAC1-(2,2-dibromoethenyl)-1-propylcyclohexane
SMILESCCCC1(C=C(Br)Br)CCCCC1
InChIInChI=1S/C11H18Br2/c1-2-6-11(9-10(12)13)7-4-3-5-8-11/h9H,2-8H2,1H3
InChIKeyJEYSNBMONWVTMA-UHFFFAOYSA-N
MW310.07 g/mol
LogP5.37
Rot. Bonds3

About 1-(2,2-dibromoethenyl)-1-propylcyclohexane

1-(2,2-dibromoethenyl)-1-propylcyclohexane (PubChem CID 174402316) has the molecular formula C11H18Br2 and a molecular weight of 310.07 g/mol. Its IUPAC name is 1-(2,2-dibromoethenyl)-1-propylcyclohexane.

Molecular Properties

Compound Name1-(2,2-dibromoethenyl)-1-propylcyclohexane
PubChem CID174402316
Molecular FormulaC11H18Br2
Molecular Weight310.07 g/mol
Exact Mass307.98
IUPAC Name1-(2,2-dibromoethenyl)-1-propylcyclohexane
SMILESCCCC1(C=C(Br)Br)CCCCC1
InChIInChI=1S/C11H18Br2/c1-2-6-11(9-10(12)13)7-4-3-5-8-11/h9H,2-8H2,1H3
InChIKeyJEYSNBMONWVTMA-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.07
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dibromoethenyl)-1-propylcyclohexane?
The IUPAC name of 1-(2,2-dibromoethenyl)-1-propylcyclohexane (CID 174402316) is 1-(2,2-dibromoethenyl)-1-propylcyclohexane.
What is the SMILES notation for 1-(2,2-dibromoethenyl)-1-propylcyclohexane?
The canonical SMILES for 1-(2,2-dibromoethenyl)-1-propylcyclohexane is CCCC1(C=C(Br)Br)CCCCC1.
What is the InChIKey of 1-(2,2-dibromoethenyl)-1-propylcyclohexane?
The InChIKey is JEYSNBMONWVTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Br2/c1-2-6-11(9-10(12)13)7-4-3-5-8-11/h9H,2-8H2,1H3.
What are the key properties of 1-(2,2-dibromoethenyl)-1-propylcyclohexane?
1-(2,2-dibromoethenyl)-1-propylcyclohexane has a molecular weight of 310.07 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dibromoethenyl)-1-propylcyclohexane is sourced from PubChem (CID 174402316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).