1-tert-butyl-4-(2,2-dibromoethenyl)cyclohexane

C12H20Br2 — CID 130532188

IUPAC1-tert-butyl-4-(2,2-dibromoethenyl)cyclohexane
SMILESCC(C)(C)C1CCC(C=C(Br)Br)CC1
InChIInChI=1S/C12H20Br2/c1-12(2,3)10-6-4-9(5-7-10)8-11(13)14/h8-10H,4-7H2,1-3H3
InChIKeySOOLEHQROLMAQM-UHFFFAOYSA-N
MW324.10 g/mol
LogP5.47
Rot. Bonds1

About 1-tert-butyl-4-(2,2-dibromoethenyl)cyclohexane

1-tert-butyl-4-(2,2-dibromoethenyl)cyclohexane (PubChem CID 130532188) has the molecular formula C12H20Br2 and a molecular weight of 324.10 g/mol. Its IUPAC name is 1-tert-butyl-4-(2,2-dibromoethenyl)cyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-(2,2-dibromoethenyl)cyclohexane
PubChem CID130532188
Molecular FormulaC12H20Br2
Molecular Weight324.10 g/mol
Exact Mass321.99
IUPAC Name1-tert-butyl-4-(2,2-dibromoethenyl)cyclohexane
SMILESCC(C)(C)C1CCC(C=C(Br)Br)CC1
InChIInChI=1S/C12H20Br2/c1-12(2,3)10-6-4-9(5-7-10)8-11(13)14/h8-10H,4-7H2,1-3H3
InChIKeySOOLEHQROLMAQM-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.10
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-tert-butyl-4-(2,2-dibromoethenyl)cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2,2-dibromoethenyl)cyclohexane?
The IUPAC name of 1-tert-butyl-4-(2,2-dibromoethenyl)cyclohexane (CID 130532188) is 1-tert-butyl-4-(2,2-dibromoethenyl)cyclohexane.
What is the SMILES notation for 1-tert-butyl-4-(2,2-dibromoethenyl)cyclohexane?
The canonical SMILES for 1-tert-butyl-4-(2,2-dibromoethenyl)cyclohexane is CC(C)(C)C1CCC(C=C(Br)Br)CC1.
What is the InChIKey of 1-tert-butyl-4-(2,2-dibromoethenyl)cyclohexane?
The InChIKey is SOOLEHQROLMAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20Br2/c1-12(2,3)10-6-4-9(5-7-10)8-11(13)14/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(2,2-dibromoethenyl)cyclohexane?
1-tert-butyl-4-(2,2-dibromoethenyl)cyclohexane has a molecular weight of 324.10 g/mol, XLogP of 5.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2,2-dibromoethenyl)cyclohexane is sourced from PubChem (CID 130532188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).