1-(3-bromopropyl)-1-methyl-2-methylidenecyclohexane

C11H19Br — CID 15664561

IUPAC1-(3-bromopropyl)-1-methyl-2-methylidenecyclohexane
SMILESC=C1CCCCC1(C)CCCBr
InChIInChI=1S/C11H19Br/c1-10-6-3-4-7-11(10,2)8-5-9-12/h1,3-9H2,2H3
InChIKeyZZOUOGCGPUHDLT-UHFFFAOYSA-N
MW231.18 g/mol
LogP4.30
Rot. Bonds3

About 1-(3-bromopropyl)-1-methyl-2-methylidenecyclohexane

1-(3-bromopropyl)-1-methyl-2-methylidenecyclohexane (PubChem CID 15664561) has the molecular formula C11H19Br and a molecular weight of 231.18 g/mol. Its IUPAC name is 1-(3-bromopropyl)-1-methyl-2-methylidenecyclohexane.

Molecular Properties

Compound Name1-(3-bromopropyl)-1-methyl-2-methylidenecyclohexane
PubChem CID15664561
Molecular FormulaC11H19Br
Molecular Weight231.18 g/mol
Exact Mass230.07
IUPAC Name1-(3-bromopropyl)-1-methyl-2-methylidenecyclohexane
SMILESC=C1CCCCC1(C)CCCBr
InChIInChI=1S/C11H19Br/c1-10-6-3-4-7-11(10,2)8-5-9-12/h1,3-9H2,2H3
InChIKeyZZOUOGCGPUHDLT-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(3-bromopropyl)-1-methyl-2-methylidenecyclohexane 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-(3-bromopropyl)-1-methyl-2-methylidenecyclohexane?
The IUPAC name of 1-(3-bromopropyl)-1-methyl-2-methylidenecyclohexane (CID 15664561) is 1-(3-bromopropyl)-1-methyl-2-methylidenecyclohexane.
What is the SMILES notation for 1-(3-bromopropyl)-1-methyl-2-methylidenecyclohexane?
The canonical SMILES for 1-(3-bromopropyl)-1-methyl-2-methylidenecyclohexane is C=C1CCCCC1(C)CCCBr.
What is the InChIKey of 1-(3-bromopropyl)-1-methyl-2-methylidenecyclohexane?
The InChIKey is ZZOUOGCGPUHDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Br/c1-10-6-3-4-7-11(10,2)8-5-9-12/h1,3-9H2,2H3.
What are the key properties of 1-(3-bromopropyl)-1-methyl-2-methylidenecyclohexane?
1-(3-bromopropyl)-1-methyl-2-methylidenecyclohexane has a molecular weight of 231.18 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)-1-methyl-2-methylidenecyclohexane is sourced from PubChem (CID 15664561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).