[(E)-3-bromo-2-methylprop-1-enyl]cyclohexane

C10H17Br — CID 131275429

IUPAC[(E)-3-bromo-2-methylprop-1-enyl]cyclohexane
SMILESC/C(=C\C1CCCCC1)CBr
InChIInChI=1S/C10H17Br/c1-9(8-11)7-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3/b9-7+
InChIKeyIHAPHOWGXNEIMA-VQHVLOKHSA-N
MW217.15 g/mol
LogP3.91
Rot. Bonds2

About [(E)-3-bromo-2-methylprop-1-enyl]cyclohexane

[(E)-3-bromo-2-methylprop-1-enyl]cyclohexane (PubChem CID 131275429) has the molecular formula C10H17Br and a molecular weight of 217.15 g/mol. Its IUPAC name is [(E)-3-bromo-2-methylprop-1-enyl]cyclohexane.

Molecular Properties

Compound Name[(E)-3-bromo-2-methylprop-1-enyl]cyclohexane
PubChem CID131275429
Molecular FormulaC10H17Br
Molecular Weight217.15 g/mol
Exact Mass216.05
IUPAC Name[(E)-3-bromo-2-methylprop-1-enyl]cyclohexane
SMILESC/C(=C\C1CCCCC1)CBr
InChIInChI=1S/C10H17Br/c1-9(8-11)7-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3/b9-7+
InChIKeyIHAPHOWGXNEIMA-VQHVLOKHSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 53.91
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-bromo-2-methylprop-1-enyl]cyclohexane?
The IUPAC name of [(E)-3-bromo-2-methylprop-1-enyl]cyclohexane (CID 131275429) is [(E)-3-bromo-2-methylprop-1-enyl]cyclohexane.
What is the SMILES notation for [(E)-3-bromo-2-methylprop-1-enyl]cyclohexane?
The canonical SMILES for [(E)-3-bromo-2-methylprop-1-enyl]cyclohexane is C/C(=C\C1CCCCC1)CBr.
What is the InChIKey of [(E)-3-bromo-2-methylprop-1-enyl]cyclohexane?
The InChIKey is IHAPHOWGXNEIMA-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H17Br/c1-9(8-11)7-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3/b9-7+.
What are the key properties of [(E)-3-bromo-2-methylprop-1-enyl]cyclohexane?
[(E)-3-bromo-2-methylprop-1-enyl]cyclohexane has a molecular weight of 217.15 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-bromo-2-methylprop-1-enyl]cyclohexane is sourced from PubChem (CID 131275429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).