1-(bromomethyl)-1-(2-propan-2-yloxyethoxy)cyclopentane

C11H21BrO2 — CID 62106737

IUPAC1-(bromomethyl)-1-(2-propan-2-yloxyethoxy)cyclopentane
SMILESCC(C)OCCOC1(CBr)CCCC1
InChIInChI=1S/C11H21BrO2/c1-10(2)13-7-8-14-11(9-12)5-3-4-6-11/h10H,3-9H2,1-2H3
InChIKeyCODUDOBLGXGUJV-UHFFFAOYSA-N
MW265.19 g/mol
LogP3.14
Rot. Bonds6

About 1-(bromomethyl)-1-(2-propan-2-yloxyethoxy)cyclopentane

1-(bromomethyl)-1-(2-propan-2-yloxyethoxy)cyclopentane (PubChem CID 62106737) has the molecular formula C11H21BrO2 and a molecular weight of 265.19 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(2-propan-2-yloxyethoxy)cyclopentane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(2-propan-2-yloxyethoxy)cyclopentane
PubChem CID62106737
Molecular FormulaC11H21BrO2
Molecular Weight265.19 g/mol
Exact Mass264.07
IUPAC Name1-(bromomethyl)-1-(2-propan-2-yloxyethoxy)cyclopentane
SMILESCC(C)OCCOC1(CBr)CCCC1
InChIInChI=1S/C11H21BrO2/c1-10(2)13-7-8-14-11(9-12)5-3-4-6-11/h10H,3-9H2,1-2H3
InChIKeyCODUDOBLGXGUJV-UHFFFAOYSA-N
XLogP3.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(bromomethyl)-1-(2-propan-2-yloxyethoxy)cyclopentane 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-(bromomethyl)-1-(2-propan-2-yloxyethoxy)cyclopentane?
The IUPAC name of 1-(bromomethyl)-1-(2-propan-2-yloxyethoxy)cyclopentane (CID 62106737) is 1-(bromomethyl)-1-(2-propan-2-yloxyethoxy)cyclopentane.
What is the SMILES notation for 1-(bromomethyl)-1-(2-propan-2-yloxyethoxy)cyclopentane?
The canonical SMILES for 1-(bromomethyl)-1-(2-propan-2-yloxyethoxy)cyclopentane is CC(C)OCCOC1(CBr)CCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(2-propan-2-yloxyethoxy)cyclopentane?
The InChIKey is CODUDOBLGXGUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO2/c1-10(2)13-7-8-14-11(9-12)5-3-4-6-11/h10H,3-9H2,1-2H3.
What are the key properties of 1-(bromomethyl)-1-(2-propan-2-yloxyethoxy)cyclopentane?
1-(bromomethyl)-1-(2-propan-2-yloxyethoxy)cyclopentane has a molecular weight of 265.19 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(2-propan-2-yloxyethoxy)cyclopentane is sourced from PubChem (CID 62106737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).