(2R,5R)-2-(bromomethyl)-5-cyclohexyloxolane

C11H19BrO — CID 23635966

IUPAC(2R,5R)-2-(bromomethyl)-5-cyclohexyloxolane
SMILESBrC[C@H]1CC[C@H](C2CCCCC2)O1
InChIInChI=1S/C11H19BrO/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h9-11H,1-8H2/t10-,11-/m1/s1
InChIKeyKDMPWKZZOBQTEA-GHMZBOCLSA-N
MW247.18 g/mol
LogP3.51
Rot. Bonds2

About (2R,5R)-2-(bromomethyl)-5-cyclohexyloxolane

(2R,5R)-2-(bromomethyl)-5-cyclohexyloxolane (PubChem CID 23635966) has the molecular formula C11H19BrO and a molecular weight of 247.18 g/mol. Its IUPAC name is (2R,5R)-2-(bromomethyl)-5-cyclohexyloxolane.

Molecular Properties

Compound Name(2R,5R)-2-(bromomethyl)-5-cyclohexyloxolane
PubChem CID23635966
Molecular FormulaC11H19BrO
Molecular Weight247.18 g/mol
Exact Mass246.06
IUPAC Name(2R,5R)-2-(bromomethyl)-5-cyclohexyloxolane
SMILESBrC[C@H]1CC[C@H](C2CCCCC2)O1
InChIInChI=1S/C11H19BrO/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h9-11H,1-8H2/t10-,11-/m1/s1
InChIKeyKDMPWKZZOBQTEA-GHMZBOCLSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (2R,5R)-2-(bromomethyl)-5-cyclohexyloxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-(bromomethyl)-5-cyclohexyloxolane?
The IUPAC name of (2R,5R)-2-(bromomethyl)-5-cyclohexyloxolane (CID 23635966) is (2R,5R)-2-(bromomethyl)-5-cyclohexyloxolane.
What is the SMILES notation for (2R,5R)-2-(bromomethyl)-5-cyclohexyloxolane?
The canonical SMILES for (2R,5R)-2-(bromomethyl)-5-cyclohexyloxolane is BrC[C@H]1CC[C@H](C2CCCCC2)O1.
What is the InChIKey of (2R,5R)-2-(bromomethyl)-5-cyclohexyloxolane?
The InChIKey is KDMPWKZZOBQTEA-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H19BrO/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h9-11H,1-8H2/t10-,11-/m1/s1.
What are the key properties of (2R,5R)-2-(bromomethyl)-5-cyclohexyloxolane?
(2R,5R)-2-(bromomethyl)-5-cyclohexyloxolane has a molecular weight of 247.18 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-(bromomethyl)-5-cyclohexyloxolane is sourced from PubChem (CID 23635966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).