4-bromobutoxymethylcyclopentane

C10H19BrO — CID 66323692

IUPAC4-bromobutoxymethylcyclopentane
SMILESBrCCCCOCC1CCCC1
InChIInChI=1S/C10H19BrO/c11-7-3-4-8-12-9-10-5-1-2-6-10/h10H,1-9H2
InChIKeyKBZSJPUZKXGBFP-UHFFFAOYSA-N
MW235.16 g/mol
LogP3.37
Rot. Bonds6

About 4-bromobutoxymethylcyclopentane

4-bromobutoxymethylcyclopentane (PubChem CID 66323692) has the molecular formula C10H19BrO and a molecular weight of 235.16 g/mol. Its IUPAC name is 4-bromobutoxymethylcyclopentane.

Molecular Properties

Compound Name4-bromobutoxymethylcyclopentane
PubChem CID66323692
Molecular FormulaC10H19BrO
Molecular Weight235.16 g/mol
Exact Mass234.06
IUPAC Name4-bromobutoxymethylcyclopentane
SMILESBrCCCCOCC1CCCC1
InChIInChI=1S/C10H19BrO/c11-7-3-4-8-12-9-10-5-1-2-6-10/h10H,1-9H2
InChIKeyKBZSJPUZKXGBFP-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromobutoxymethylcyclopentane?
The IUPAC name of 4-bromobutoxymethylcyclopentane (CID 66323692) is 4-bromobutoxymethylcyclopentane.
What is the SMILES notation for 4-bromobutoxymethylcyclopentane?
The canonical SMILES for 4-bromobutoxymethylcyclopentane is BrCCCCOCC1CCCC1.
What is the InChIKey of 4-bromobutoxymethylcyclopentane?
The InChIKey is KBZSJPUZKXGBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO/c11-7-3-4-8-12-9-10-5-1-2-6-10/h10H,1-9H2.
What are the key properties of 4-bromobutoxymethylcyclopentane?
4-bromobutoxymethylcyclopentane has a molecular weight of 235.16 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobutoxymethylcyclopentane is sourced from PubChem (CID 66323692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).