1-bromo-2-(4-methylpentoxy)cyclopentane

C11H21BrO — CID 62109918

IUPAC1-bromo-2-(4-methylpentoxy)cyclopentane
SMILESCC(C)CCCOC1CCCC1Br
InChIInChI=1S/C11H21BrO/c1-9(2)5-4-8-13-11-7-3-6-10(11)12/h9-11H,3-8H2,1-2H3
InChIKeyGMFBIIOSBVIWFK-UHFFFAOYSA-N
MW249.19 g/mol
LogP3.76
Rot. Bonds5

About 1-bromo-2-(4-methylpentoxy)cyclopentane

1-bromo-2-(4-methylpentoxy)cyclopentane (PubChem CID 62109918) has the molecular formula C11H21BrO and a molecular weight of 249.19 g/mol. Its IUPAC name is 1-bromo-2-(4-methylpentoxy)cyclopentane.

Molecular Properties

Compound Name1-bromo-2-(4-methylpentoxy)cyclopentane
PubChem CID62109918
Molecular FormulaC11H21BrO
Molecular Weight249.19 g/mol
Exact Mass248.08
IUPAC Name1-bromo-2-(4-methylpentoxy)cyclopentane
SMILESCC(C)CCCOC1CCCC1Br
InChIInChI=1S/C11H21BrO/c1-9(2)5-4-8-13-11-7-3-6-10(11)12/h9-11H,3-8H2,1-2H3
InChIKeyGMFBIIOSBVIWFK-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-bromo-2-(4-methylpentoxy)cyclopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-2-(3-methylbutoxy)cyclooctane
CID 114772941
1-bromo-2-(2-propan-2-yloxyethoxy)cyclohexane
CID 62109249
3-bromo-4-(4-methylpentoxy)oxolane
CID 114773444
1-bromo-2-(2-methylpropoxy)cyclohexane
CID 62111426
1-(2-bromocyclopentyl)oxy-N-methylmethanamine
CID 171766461
1-bromo-3-(4-methylpentoxy)cyclobutane
CID 66345127
1-bromo-2-(2-methylpentoxy)cyclohexane
CID 103285067
1-bromo-2-(2-methoxy-3-methylbutoxy)cyclopentane
CID 165487792
6-methylheptoxycyclohexane
CID 66984925
1-bromo-2-(3,3-dimethylbutoxy)cycloheptane
CID 66227351
1-bromo-2-pentan-2-yloxycyclopentane
CID 102984522
1-bromo-2-(2-propoxyethoxy)cyclooctane
CID 114774148

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(4-methylpentoxy)cyclopentane?
The IUPAC name of 1-bromo-2-(4-methylpentoxy)cyclopentane (CID 62109918) is 1-bromo-2-(4-methylpentoxy)cyclopentane.
What is the SMILES notation for 1-bromo-2-(4-methylpentoxy)cyclopentane?
The canonical SMILES for 1-bromo-2-(4-methylpentoxy)cyclopentane is CC(C)CCCOC1CCCC1Br.
What is the InChIKey of 1-bromo-2-(4-methylpentoxy)cyclopentane?
The InChIKey is GMFBIIOSBVIWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO/c1-9(2)5-4-8-13-11-7-3-6-10(11)12/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-bromo-2-(4-methylpentoxy)cyclopentane?
1-bromo-2-(4-methylpentoxy)cyclopentane has a molecular weight of 249.19 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(4-methylpentoxy)cyclopentane is sourced from PubChem (CID 62109918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).