[2-(bromomethyl)-2-methylbut-3-enyl]cyclopentane

C11H19Br — CID 86036978

IUPAC[2-(bromomethyl)-2-methylbut-3-enyl]cyclopentane
SMILESC=CC(C)(CBr)CC1CCCC1
InChIInChI=1S/C11H19Br/c1-3-11(2,9-12)8-10-6-4-5-7-10/h3,10H,1,4-9H2,2H3
InChIKeyGUSSXOGXYYWHJD-UHFFFAOYSA-N
MW231.18 g/mol
LogP4.15
Rot. Bonds4

About [2-(bromomethyl)-2-methylbut-3-enyl]cyclopentane

[2-(bromomethyl)-2-methylbut-3-enyl]cyclopentane (PubChem CID 86036978) has the molecular formula C11H19Br and a molecular weight of 231.18 g/mol. Its IUPAC name is [2-(bromomethyl)-2-methylbut-3-enyl]cyclopentane.

Molecular Properties

Compound Name[2-(bromomethyl)-2-methylbut-3-enyl]cyclopentane
PubChem CID86036978
Molecular FormulaC11H19Br
Molecular Weight231.18 g/mol
Exact Mass230.07
IUPAC Name[2-(bromomethyl)-2-methylbut-3-enyl]cyclopentane
SMILESC=CC(C)(CBr)CC1CCCC1
InChIInChI=1S/C11H19Br/c1-3-11(2,9-12)8-10-6-4-5-7-10/h3,10H,1,4-9H2,2H3
InChIKeyGUSSXOGXYYWHJD-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 54.15
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 [2-(bromomethyl)-2-methylbut-3-enyl]cyclopentane?
The IUPAC name of [2-(bromomethyl)-2-methylbut-3-enyl]cyclopentane (CID 86036978) is [2-(bromomethyl)-2-methylbut-3-enyl]cyclopentane.
What is the SMILES notation for [2-(bromomethyl)-2-methylbut-3-enyl]cyclopentane?
The canonical SMILES for [2-(bromomethyl)-2-methylbut-3-enyl]cyclopentane is C=CC(C)(CBr)CC1CCCC1.
What is the InChIKey of [2-(bromomethyl)-2-methylbut-3-enyl]cyclopentane?
The InChIKey is GUSSXOGXYYWHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Br/c1-3-11(2,9-12)8-10-6-4-5-7-10/h3,10H,1,4-9H2,2H3.
What are the key properties of [2-(bromomethyl)-2-methylbut-3-enyl]cyclopentane?
[2-(bromomethyl)-2-methylbut-3-enyl]cyclopentane has a molecular weight of 231.18 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)-2-methylbut-3-enyl]cyclopentane is sourced from PubChem (CID 86036978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).