[1-(bromomethyl)-2-methylcyclopropyl]methylcyclopentane

C11H19Br — CID 165445764

IUPAC[1-(bromomethyl)-2-methylcyclopropyl]methylcyclopentane
SMILESCC1CC1(CBr)CC1CCCC1
InChIInChI=1S/C11H19Br/c1-9-6-11(9,8-12)7-10-4-2-3-5-10/h9-10H,2-8H2,1H3
InChIKeyFKPRJMZHZLAKPW-UHFFFAOYSA-N
MW231.18 g/mol
LogP3.99
Rot. Bonds3

About [1-(bromomethyl)-2-methylcyclopropyl]methylcyclopentane

[1-(bromomethyl)-2-methylcyclopropyl]methylcyclopentane (PubChem CID 165445764) has the molecular formula C11H19Br and a molecular weight of 231.18 g/mol. Its IUPAC name is [1-(bromomethyl)-2-methylcyclopropyl]methylcyclopentane.

Molecular Properties

Compound Name[1-(bromomethyl)-2-methylcyclopropyl]methylcyclopentane
PubChem CID165445764
Molecular FormulaC11H19Br
Molecular Weight231.18 g/mol
Exact Mass230.07
IUPAC Name[1-(bromomethyl)-2-methylcyclopropyl]methylcyclopentane
SMILESCC1CC1(CBr)CC1CCCC1
InChIInChI=1S/C11H19Br/c1-9-6-11(9,8-12)7-10-4-2-3-5-10/h9-10H,2-8H2,1H3
InChIKeyFKPRJMZHZLAKPW-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(bromomethyl)-2-methylcyclopropyl]methylcyclopentane?
The IUPAC name of [1-(bromomethyl)-2-methylcyclopropyl]methylcyclopentane (CID 165445764) is [1-(bromomethyl)-2-methylcyclopropyl]methylcyclopentane.
What is the SMILES notation for [1-(bromomethyl)-2-methylcyclopropyl]methylcyclopentane?
The canonical SMILES for [1-(bromomethyl)-2-methylcyclopropyl]methylcyclopentane is CC1CC1(CBr)CC1CCCC1.
What is the InChIKey of [1-(bromomethyl)-2-methylcyclopropyl]methylcyclopentane?
The InChIKey is FKPRJMZHZLAKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Br/c1-9-6-11(9,8-12)7-10-4-2-3-5-10/h9-10H,2-8H2,1H3.
What are the key properties of [1-(bromomethyl)-2-methylcyclopropyl]methylcyclopentane?
[1-(bromomethyl)-2-methylcyclopropyl]methylcyclopentane has a molecular weight of 231.18 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(bromomethyl)-2-methylcyclopropyl]methylcyclopentane is sourced from PubChem (CID 165445764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).