1-bromo-3-prop-2-enylcyclohexane

C9H15Br — CID 64508046

IUPAC1-bromo-3-prop-2-enylcyclohexane
SMILESC=CCC1CCCC(Br)C1
InChIInChI=1S/C9H15Br/c1-2-4-8-5-3-6-9(10)7-8/h2,8-9H,1,3-7H2
InChIKeyOCGDRYRONLMPAC-UHFFFAOYSA-N
MW203.12 g/mol
LogP3.52
Rot. Bonds2

About 1-bromo-3-prop-2-enylcyclohexane

1-bromo-3-prop-2-enylcyclohexane (PubChem CID 64508046) has the molecular formula C9H15Br and a molecular weight of 203.12 g/mol. Its IUPAC name is 1-bromo-3-prop-2-enylcyclohexane.

Molecular Properties

Compound Name1-bromo-3-prop-2-enylcyclohexane
PubChem CID64508046
Molecular FormulaC9H15Br
Molecular Weight203.12 g/mol
Exact Mass202.04
IUPAC Name1-bromo-3-prop-2-enylcyclohexane
SMILESC=CCC1CCCC(Br)C1
InChIInChI=1S/C9H15Br/c1-2-4-8-5-3-6-9(10)7-8/h2,8-9H,1,3-7H2
InChIKeyOCGDRYRONLMPAC-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 53.52
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-bromo-3-prop-2-enylcyclohexane 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-bromo-3-prop-2-enylcyclohexane?
The IUPAC name of 1-bromo-3-prop-2-enylcyclohexane (CID 64508046) is 1-bromo-3-prop-2-enylcyclohexane.
What is the SMILES notation for 1-bromo-3-prop-2-enylcyclohexane?
The canonical SMILES for 1-bromo-3-prop-2-enylcyclohexane is C=CCC1CCCC(Br)C1.
What is the InChIKey of 1-bromo-3-prop-2-enylcyclohexane?
The InChIKey is OCGDRYRONLMPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Br/c1-2-4-8-5-3-6-9(10)7-8/h2,8-9H,1,3-7H2.
What are the key properties of 1-bromo-3-prop-2-enylcyclohexane?
1-bromo-3-prop-2-enylcyclohexane has a molecular weight of 203.12 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-prop-2-enylcyclohexane is sourced from PubChem (CID 64508046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).