3-(bromomethyl)-3-cyclopentyl-2-cyclopropyloxolane

C13H21BrO — CID 104510773

IUPAC3-(bromomethyl)-3-cyclopentyl-2-cyclopropyloxolane
SMILESBrCC1(C2CCCC2)CCOC1C1CC1
InChIInChI=1S/C13H21BrO/c14-9-13(11-3-1-2-4-11)7-8-15-12(13)10-5-6-10/h10-12H,1-9H2
InChIKeyZOQRWZXKCNKIRZ-UHFFFAOYSA-N
MW273.21 g/mol
LogP3.76
Rot. Bonds3

About 3-(bromomethyl)-3-cyclopentyl-2-cyclopropyloxolane

3-(bromomethyl)-3-cyclopentyl-2-cyclopropyloxolane (PubChem CID 104510773) has the molecular formula C13H21BrO and a molecular weight of 273.21 g/mol. Its IUPAC name is 3-(bromomethyl)-3-cyclopentyl-2-cyclopropyloxolane.

Molecular Properties

Compound Name3-(bromomethyl)-3-cyclopentyl-2-cyclopropyloxolane
PubChem CID104510773
Molecular FormulaC13H21BrO
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name3-(bromomethyl)-3-cyclopentyl-2-cyclopropyloxolane
SMILESBrCC1(C2CCCC2)CCOC1C1CC1
InChIInChI=1S/C13H21BrO/c14-9-13(11-3-1-2-4-11)7-8-15-12(13)10-5-6-10/h10-12H,1-9H2
InChIKeyZOQRWZXKCNKIRZ-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 53.76
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

3-(bromomethyl)-2,3-dicyclopropyloxolane
CID 104819666
3-(bromomethyl)-3-(cyclopentylmethyl)-2-cyclopropyloxolane
CID 104510698
3-(cyclohexylmethyl)-2-cyclopropyloxolan-3-amine
CID 104510320
N-[(3-cyclopentyl-2-methyloxolan-3-yl)methyl]propan-2-amine
CID 114534707
2-cyclopropyl-3-(2,2-difluoroethyl)oxolan-3-amine
CID 164655201
[2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methanol
CID 113420924
2-[[3-(bromomethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-oxaspiro[4.5]decane
CID 102902363
2-cyclopropyl-3-(2-fluoroethyl)oxolan-3-amine
CID 164649094
2-cyclopropyl-3-propyloxolan-3-amine
CID 104510271
N-[[2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]ethanamine
CID 104509669
(2-cyclopropyl-3-methyloxolan-3-yl)methanamine
CID 75481139
2-cyclopropyl-3-(oxan-4-ylmethyl)oxolan-3-amine
CID 104510260

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-3-cyclopentyl-2-cyclopropyloxolane?
The IUPAC name of 3-(bromomethyl)-3-cyclopentyl-2-cyclopropyloxolane (CID 104510773) is 3-(bromomethyl)-3-cyclopentyl-2-cyclopropyloxolane.
What is the SMILES notation for 3-(bromomethyl)-3-cyclopentyl-2-cyclopropyloxolane?
The canonical SMILES for 3-(bromomethyl)-3-cyclopentyl-2-cyclopropyloxolane is BrCC1(C2CCCC2)CCOC1C1CC1.
What is the InChIKey of 3-(bromomethyl)-3-cyclopentyl-2-cyclopropyloxolane?
The InChIKey is ZOQRWZXKCNKIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrO/c14-9-13(11-3-1-2-4-11)7-8-15-12(13)10-5-6-10/h10-12H,1-9H2.
What are the key properties of 3-(bromomethyl)-3-cyclopentyl-2-cyclopropyloxolane?
3-(bromomethyl)-3-cyclopentyl-2-cyclopropyloxolane has a molecular weight of 273.21 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-3-cyclopentyl-2-cyclopropyloxolane is sourced from PubChem (CID 104510773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).