2-(2-bicyclo[2.2.1]heptanyl)-5-(bromomethyl)oxolane

C12H19BrO — CID 130706216

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-5-(bromomethyl)oxolane
SMILESBrCC1CCC(C2CC3CCC2C3)O1
InChIInChI=1S/C12H19BrO/c13-7-10-3-4-12(14-10)11-6-8-1-2-9(11)5-8/h8-12H,1-7H2
InChIKeyGLPNVQVOTHWWSJ-UHFFFAOYSA-N
MW259.19 g/mol
LogP3.37
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]heptanyl)-5-(bromomethyl)oxolane

2-(2-bicyclo[2.2.1]heptanyl)-5-(bromomethyl)oxolane (PubChem CID 130706216) has the molecular formula C12H19BrO and a molecular weight of 259.19 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-5-(bromomethyl)oxolane.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-5-(bromomethyl)oxolane
PubChem CID130706216
Molecular FormulaC12H19BrO
Molecular Weight259.19 g/mol
Exact Mass258.06
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-5-(bromomethyl)oxolane
SMILESBrCC1CCC(C2CC3CCC2C3)O1
InChIInChI=1S/C12H19BrO/c13-7-10-3-4-12(14-10)11-6-8-1-2-9(11)5-8/h8-12H,1-7H2
InChIKeyGLPNVQVOTHWWSJ-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 53.37
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-(2-bicyclo[2.2.1]heptanyl)-5-(bromomethyl)oxolane?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-5-(bromomethyl)oxolane (CID 130706216) is 2-(2-bicyclo[2.2.1]heptanyl)-5-(bromomethyl)oxolane.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-5-(bromomethyl)oxolane?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-5-(bromomethyl)oxolane is BrCC1CCC(C2CC3CCC2C3)O1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-5-(bromomethyl)oxolane?
The InChIKey is GLPNVQVOTHWWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrO/c13-7-10-3-4-12(14-10)11-6-8-1-2-9(11)5-8/h8-12H,1-7H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-5-(bromomethyl)oxolane?
2-(2-bicyclo[2.2.1]heptanyl)-5-(bromomethyl)oxolane has a molecular weight of 259.19 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-5-(bromomethyl)oxolane is sourced from PubChem (CID 130706216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).