1-(bromomethyl)-1-cyclopentyloxycycloheptane

C13H23BrO — CID 62113874

IUPAC1-(bromomethyl)-1-cyclopentyloxycycloheptane
SMILESBrCC1(OC2CCCC2)CCCCCC1
InChIInChI=1S/C13H23BrO/c14-11-13(9-5-1-2-6-10-13)15-12-7-3-4-8-12/h12H,1-11H2
InChIKeyYQXQKSQOLPWJIA-UHFFFAOYSA-N
MW275.23 g/mol
LogP4.43
Rot. Bonds3

About 1-(bromomethyl)-1-cyclopentyloxycycloheptane

1-(bromomethyl)-1-cyclopentyloxycycloheptane (PubChem CID 62113874) has the molecular formula C13H23BrO and a molecular weight of 275.23 g/mol. Its IUPAC name is 1-(bromomethyl)-1-cyclopentyloxycycloheptane.

Molecular Properties

Compound Name1-(bromomethyl)-1-cyclopentyloxycycloheptane
PubChem CID62113874
Molecular FormulaC13H23BrO
Molecular Weight275.23 g/mol
Exact Mass274.09
IUPAC Name1-(bromomethyl)-1-cyclopentyloxycycloheptane
SMILESBrCC1(OC2CCCC2)CCCCCC1
InChIInChI=1S/C13H23BrO/c14-11-13(9-5-1-2-6-10-13)15-12-7-3-4-8-12/h12H,1-11H2
InChIKeyYQXQKSQOLPWJIA-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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Related Compounds

2-(Bromomethyl)-1-oxaspiro[4.6]undecane
CID 130582517
2-Bromomethyl-1-oxaspiro-[2.6]nonane
CID 10513046
1-(Bromomethyl)-1-[(1,1,1-trifluoropropan-2-yl)oxy]cycloheptane
CID 66275724
2-(Bromomethyl)-1-oxaspiro[4.4]nonane
CID 13487209
1-(Bromomethyl)-1-octoxycycloheptane
CID 55192104
1-(Bromomethyl)-1-(cyclohexylmethoxy)cycloheptane
CID 55193061
1-(Bromomethyl)-1-heptoxycycloheptane
CID 55193628
1-Bromo-2-(2-propan-2-yloxyethyl)cycloheptane
CID 61733313
1-(Bromomethyl)-1-(2-isopropoxyethoxy)cycloheptane
CID 62106738
{[1-(Bromomethyl)cyclopentyl]oxy}cycloheptane
CID 62107804
2-(((1-(Bromomethyl)cycloheptyl)oxy)methyl)tetrahydrofuran
CID 62108335
3-(((1-(Bromomethyl)cycloheptyl)oxy)methyl)tetrahydrofuran
CID 62108522

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-cyclopentyloxycycloheptane?
The IUPAC name of 1-(bromomethyl)-1-cyclopentyloxycycloheptane (CID 62113874) is 1-(bromomethyl)-1-cyclopentyloxycycloheptane.
What is the SMILES notation for 1-(bromomethyl)-1-cyclopentyloxycycloheptane?
The canonical SMILES for 1-(bromomethyl)-1-cyclopentyloxycycloheptane is BrCC1(OC2CCCC2)CCCCCC1.
What is the InChIKey of 1-(bromomethyl)-1-cyclopentyloxycycloheptane?
The InChIKey is YQXQKSQOLPWJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrO/c14-11-13(9-5-1-2-6-10-13)15-12-7-3-4-8-12/h12H,1-11H2.
What are the key properties of 1-(bromomethyl)-1-cyclopentyloxycycloheptane?
1-(bromomethyl)-1-cyclopentyloxycycloheptane 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)-1-cyclopentyloxycycloheptane is sourced from PubChem (CID 62113874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).