[(E)-3-bromoprop-1-enyl]cyclohexane

C9H15Br — CID 15752625

IUPAC[(E)-3-bromoprop-1-enyl]cyclohexane
SMILESBrC/C=C/C1CCCCC1
InChIInChI=1S/C9H15Br/c10-8-4-7-9-5-2-1-3-6-9/h4,7,9H,1-3,5-6,8H2/b7-4+
InChIKeyOQDAFSPCBVBKNR-QPJJXVBHSA-N
MW203.12 g/mol
LogP3.52
Rot. Bonds2

About [(E)-3-bromoprop-1-enyl]cyclohexane

[(E)-3-bromoprop-1-enyl]cyclohexane (PubChem CID 15752625) has the molecular formula C9H15Br and a molecular weight of 203.12 g/mol. Its IUPAC name is [(E)-3-bromoprop-1-enyl]cyclohexane.

Molecular Properties

Compound Name[(E)-3-bromoprop-1-enyl]cyclohexane
PubChem CID15752625
Molecular FormulaC9H15Br
Molecular Weight203.12 g/mol
Exact Mass202.04
IUPAC Name[(E)-3-bromoprop-1-enyl]cyclohexane
SMILESBrC/C=C/C1CCCCC1
InChIInChI=1S/C9H15Br/c10-8-4-7-9-5-2-1-3-6-9/h4,7,9H,1-3,5-6,8H2/b7-4+
InChIKeyOQDAFSPCBVBKNR-QPJJXVBHSA-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'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-bromoprop-1-enyl]cyclohexane?
The IUPAC name of [(E)-3-bromoprop-1-enyl]cyclohexane (CID 15752625) is [(E)-3-bromoprop-1-enyl]cyclohexane.
What is the SMILES notation for [(E)-3-bromoprop-1-enyl]cyclohexane?
The canonical SMILES for [(E)-3-bromoprop-1-enyl]cyclohexane is BrC/C=C/C1CCCCC1.
What is the InChIKey of [(E)-3-bromoprop-1-enyl]cyclohexane?
The InChIKey is OQDAFSPCBVBKNR-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H15Br/c10-8-4-7-9-5-2-1-3-6-9/h4,7,9H,1-3,5-6,8H2/b7-4+.
What are the key properties of [(E)-3-bromoprop-1-enyl]cyclohexane?
[(E)-3-bromoprop-1-enyl]cyclohexane 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 [(E)-3-bromoprop-1-enyl]cyclohexane is sourced from PubChem (CID 15752625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).