3-(bromomethyl)-2,3-dicyclopropyloxolane

C11H17BrO — CID 104819666

IUPAC3-(bromomethyl)-2,3-dicyclopropyloxolane
SMILESBrCC1(C2CC2)CCOC1C1CC1
InChIInChI=1S/C11H17BrO/c12-7-11(9-3-4-9)5-6-13-10(11)8-1-2-8/h8-10H,1-7H2
InChIKeyPZBHLERDMGMEDI-UHFFFAOYSA-N
MW245.16 g/mol
LogP2.98
Rot. Bonds3

About 3-(bromomethyl)-2,3-dicyclopropyloxolane

3-(bromomethyl)-2,3-dicyclopropyloxolane (PubChem CID 104819666) has the molecular formula C11H17BrO and a molecular weight of 245.16 g/mol. Its IUPAC name is 3-(bromomethyl)-2,3-dicyclopropyloxolane.

Molecular Properties

Compound Name3-(bromomethyl)-2,3-dicyclopropyloxolane
PubChem CID104819666
Molecular FormulaC11H17BrO
Molecular Weight245.16 g/mol
Exact Mass244.05
IUPAC Name3-(bromomethyl)-2,3-dicyclopropyloxolane
SMILESBrCC1(C2CC2)CCOC1C1CC1
InChIInChI=1S/C11H17BrO/c12-7-11(9-3-4-9)5-6-13-10(11)8-1-2-8/h8-10H,1-7H2
InChIKeyPZBHLERDMGMEDI-UHFFFAOYSA-N
XLogP2.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 52.98
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)-3-cyclopentyl-2-cyclopropyloxolane
CID 104510773
3-(bromomethyl)-3-(cyclopentylmethyl)-2-cyclopropyloxolane
CID 104510698
[2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methanol
CID 113420924
2-cyclopropyl-3-propyloxolan-3-amine
CID 104510271
2-cyclopropyl-3-(2-fluoroethyl)oxolan-3-amine
CID 164649094
2-cyclopropyl-3-(2,2-difluoroethyl)oxolan-3-amine
CID 164655201
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
3-(cyclohexylmethyl)-2-cyclopropyloxolan-3-amine
CID 104510320
2-cyclopropyl-3-(oxan-4-ylmethyl)oxolan-3-amine
CID 104510260
2-[[3-(bromomethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-oxaspiro[4.5]decane
CID 102902363
3-(bromomethyl)-2-cyclopropyl-3-(thiophen-2-ylmethyl)oxolane
CID 104510783

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2,3-dicyclopropyloxolane?
The IUPAC name of 3-(bromomethyl)-2,3-dicyclopropyloxolane (CID 104819666) is 3-(bromomethyl)-2,3-dicyclopropyloxolane.
What is the SMILES notation for 3-(bromomethyl)-2,3-dicyclopropyloxolane?
The canonical SMILES for 3-(bromomethyl)-2,3-dicyclopropyloxolane is BrCC1(C2CC2)CCOC1C1CC1.
What is the InChIKey of 3-(bromomethyl)-2,3-dicyclopropyloxolane?
The InChIKey is PZBHLERDMGMEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrO/c12-7-11(9-3-4-9)5-6-13-10(11)8-1-2-8/h8-10H,1-7H2.
What are the key properties of 3-(bromomethyl)-2,3-dicyclopropyloxolane?
3-(bromomethyl)-2,3-dicyclopropyloxolane has a molecular weight of 245.16 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2,3-dicyclopropyloxolane is sourced from PubChem (CID 104819666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).