(2-bromocyclopentyl)oxycyclooctane

C13H23BrO — CID 165493454

IUPAC(2-bromocyclopentyl)oxycyclooctane
SMILESBrC1CCCC1OC1CCCCCCC1
InChIInChI=1S/C13H23BrO/c14-12-9-6-10-13(12)15-11-7-4-2-1-3-5-8-11/h11-13H,1-10H2
InChIKeyQUGUKHSIBUQXAO-UHFFFAOYSA-N
MW275.23 g/mol
LogP4.43
Rot. Bonds2

About (2-bromocyclopentyl)oxycyclooctane

(2-bromocyclopentyl)oxycyclooctane (PubChem CID 165493454) has the molecular formula C13H23BrO and a molecular weight of 275.23 g/mol. Its IUPAC name is (2-bromocyclopentyl)oxycyclooctane.

Molecular Properties

Compound Name(2-bromocyclopentyl)oxycyclooctane
PubChem CID165493454
Molecular FormulaC13H23BrO
Molecular Weight275.23 g/mol
Exact Mass274.09
IUPAC Name(2-bromocyclopentyl)oxycyclooctane
SMILESBrC1CCCC1OC1CCCCCCC1
InChIInChI=1S/C13H23BrO/c14-12-9-6-10-13(12)15-11-7-4-2-1-3-5-8-11/h11-13H,1-10H2
InChIKeyQUGUKHSIBUQXAO-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2-bromocyclopentyl)oxycyclooctane?
The IUPAC name of (2-bromocyclopentyl)oxycyclooctane (CID 165493454) is (2-bromocyclopentyl)oxycyclooctane.
What is the SMILES notation for (2-bromocyclopentyl)oxycyclooctane?
The canonical SMILES for (2-bromocyclopentyl)oxycyclooctane is BrC1CCCC1OC1CCCCCCC1.
What is the InChIKey of (2-bromocyclopentyl)oxycyclooctane?
The InChIKey is QUGUKHSIBUQXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrO/c14-12-9-6-10-13(12)15-11-7-4-2-1-3-5-8-11/h11-13H,1-10H2.
What are the key properties of (2-bromocyclopentyl)oxycyclooctane?
(2-bromocyclopentyl)oxycyclooctane has a molecular weight of 275.23 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromocyclopentyl)oxycyclooctane is sourced from PubChem (CID 165493454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).