[1-(bromomethyl)cyclopentyl]oxycycloheptane

C13H23BrO — CID 62107804

IUPAC[1-(bromomethyl)cyclopentyl]oxycycloheptane
SMILESBrCC1(OC2CCCCCC2)CCCC1
InChIInChI=1S/C13H23BrO/c14-11-13(9-5-6-10-13)15-12-7-3-1-2-4-8-12/h12H,1-11H2
InChIKeyPUCPODGPAMEJIO-UHFFFAOYSA-N
MW275.23 g/mol
LogP4.43
Rot. Bonds3

About [1-(bromomethyl)cyclopentyl]oxycycloheptane

[1-(bromomethyl)cyclopentyl]oxycycloheptane (PubChem CID 62107804) has the molecular formula C13H23BrO and a molecular weight of 275.23 g/mol. Its IUPAC name is [1-(bromomethyl)cyclopentyl]oxycycloheptane.

Molecular Properties

Compound Name[1-(bromomethyl)cyclopentyl]oxycycloheptane
PubChem CID62107804
Molecular FormulaC13H23BrO
Molecular Weight275.23 g/mol
Exact Mass274.09
IUPAC Name[1-(bromomethyl)cyclopentyl]oxycycloheptane
SMILESBrCC1(OC2CCCCCC2)CCCC1
InChIInChI=1S/C13H23BrO/c14-11-13(9-5-6-10-13)15-12-7-3-1-2-4-8-12/h12H,1-11H2
InChIKeyPUCPODGPAMEJIO-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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 [1-(bromomethyl)cyclopentyl]oxycycloheptane?
The IUPAC name of [1-(bromomethyl)cyclopentyl]oxycycloheptane (CID 62107804) is [1-(bromomethyl)cyclopentyl]oxycycloheptane.
What is the SMILES notation for [1-(bromomethyl)cyclopentyl]oxycycloheptane?
The canonical SMILES for [1-(bromomethyl)cyclopentyl]oxycycloheptane is BrCC1(OC2CCCCCC2)CCCC1.
What is the InChIKey of [1-(bromomethyl)cyclopentyl]oxycycloheptane?
The InChIKey is PUCPODGPAMEJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrO/c14-11-13(9-5-6-10-13)15-12-7-3-1-2-4-8-12/h12H,1-11H2.
What are the key properties of [1-(bromomethyl)cyclopentyl]oxycycloheptane?
[1-(bromomethyl)cyclopentyl]oxycycloheptane has a molecular weight of 275.23 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(bromomethyl)cyclopentyl]oxycycloheptane is sourced from PubChem (CID 62107804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).