2,2-dibromoethenylcyclohexane

C8H12Br2 — CID 11821588

IUPAC2,2-dibromoethenylcyclohexane
SMILESBrC(Br)=CC1CCCCC1
InChIInChI=1S/C8H12Br2/c9-8(10)6-7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyRRGUVJJVBAZCFI-UHFFFAOYSA-N
MW267.99 g/mol
LogP4.20
Rot. Bonds1

About 2,2-dibromoethenylcyclohexane

2,2-dibromoethenylcyclohexane (PubChem CID 11821588) has the molecular formula C8H12Br2 and a molecular weight of 267.99 g/mol. Its IUPAC name is 2,2-dibromoethenylcyclohexane.

Molecular Properties

Compound Name2,2-dibromoethenylcyclohexane
PubChem CID11821588
Molecular FormulaC8H12Br2
Molecular Weight267.99 g/mol
Exact Mass265.93
IUPAC Name2,2-dibromoethenylcyclohexane
SMILESBrC(Br)=CC1CCCCC1
InChIInChI=1S/C8H12Br2/c9-8(10)6-7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyRRGUVJJVBAZCFI-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.99
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,2-dibromoethenylcyclohexane with MolForge

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

Launch Full Analysis

Related Compounds

Cyclohexylallene
CID 21873
[(E)-2-bromoethenyl]cyclohexane
CID 5382610
(Z)-(2-bromovinyl)cyclohexane
CID 6187357
4-(2,2-Dibromoethenyl)-1,1-difluorocyclohexane
CID 129270309
[(Z)-2-bromo-2-fluoroethenyl]cyclohexane
CID 169818267
[(E)-1,2-dibromoethenyl]cyclohexane
CID 125476166
1,1-Dibromopenta-1,4-dien-2-ylcyclohexane
CID 134897545
[(Z)-2-bromo-2-iodoethenyl]cyclohexane
CID 134933225
[(E)-2-bromo-2-iodoethenyl]cyclohexane
CID 134985907
3-Bromopropa-1,2-dienylcyclohexane
CID 135039911
1-(Dibromomethylidene)-2-methylcyclohexane
CID 6422077
[(Z)-2-bromo-2-chloroethenyl]cyclohexane
CID 12528610

Frequently Asked Questions

What is the IUPAC name of 2,2-dibromoethenylcyclohexane?
The IUPAC name of 2,2-dibromoethenylcyclohexane (CID 11821588) is 2,2-dibromoethenylcyclohexane.
What is the SMILES notation for 2,2-dibromoethenylcyclohexane?
The canonical SMILES for 2,2-dibromoethenylcyclohexane is BrC(Br)=CC1CCCCC1.
What is the InChIKey of 2,2-dibromoethenylcyclohexane?
The InChIKey is RRGUVJJVBAZCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Br2/c9-8(10)6-7-4-2-1-3-5-7/h6-7H,1-5H2.
What are the key properties of 2,2-dibromoethenylcyclohexane?
2,2-dibromoethenylcyclohexane has a molecular weight of 267.99 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromoethenylcyclohexane is sourced from PubChem (CID 11821588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).