(3-bromo-4-methoxybutyl)cyclopentane

C10H19BrO — CID 62319853

IUPAC(3-bromo-4-methoxybutyl)cyclopentane
SMILESCOCC(Br)CCC1CCCC1
InChIInChI=1S/C10H19BrO/c1-12-8-10(11)7-6-9-4-2-3-5-9/h9-10H,2-8H2,1H3
InChIKeyVSJSVEMKVQAWTJ-UHFFFAOYSA-N
MW235.16 g/mol
LogP3.37
Rot. Bonds5

About (3-bromo-4-methoxybutyl)cyclopentane

(3-bromo-4-methoxybutyl)cyclopentane (PubChem CID 62319853) has the molecular formula C10H19BrO and a molecular weight of 235.16 g/mol. Its IUPAC name is (3-bromo-4-methoxybutyl)cyclopentane.

Molecular Properties

Compound Name(3-bromo-4-methoxybutyl)cyclopentane
PubChem CID62319853
Molecular FormulaC10H19BrO
Molecular Weight235.16 g/mol
Exact Mass234.06
IUPAC Name(3-bromo-4-methoxybutyl)cyclopentane
SMILESCOCC(Br)CCC1CCCC1
InChIInChI=1S/C10H19BrO/c1-12-8-10(11)7-6-9-4-2-3-5-9/h9-10H,2-8H2,1H3
InChIKeyVSJSVEMKVQAWTJ-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3-bromo-4-methoxybutyl)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 (3-bromo-4-methoxybutyl)cyclopentane?
The IUPAC name of (3-bromo-4-methoxybutyl)cyclopentane (CID 62319853) is (3-bromo-4-methoxybutyl)cyclopentane.
What is the SMILES notation for (3-bromo-4-methoxybutyl)cyclopentane?
The canonical SMILES for (3-bromo-4-methoxybutyl)cyclopentane is COCC(Br)CCC1CCCC1.
What is the InChIKey of (3-bromo-4-methoxybutyl)cyclopentane?
The InChIKey is VSJSVEMKVQAWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO/c1-12-8-10(11)7-6-9-4-2-3-5-9/h9-10H,2-8H2,1H3.
What are the key properties of (3-bromo-4-methoxybutyl)cyclopentane?
(3-bromo-4-methoxybutyl)cyclopentane has a molecular weight of 235.16 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxybutyl)cyclopentane is sourced from PubChem (CID 62319853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).