6-(bromomethyl)-2-cyclopropyl-2-methyloxane

C10H17BrO — CID 126983630

IUPAC6-(bromomethyl)-2-cyclopropyl-2-methyloxane
SMILESCC1(C2CC2)CCCC(CBr)O1
InChIInChI=1S/C10H17BrO/c1-10(8-4-5-8)6-2-3-9(7-11)12-10/h8-9H,2-7H2,1H3
InChIKeyALKCWPQGKNYQBJ-UHFFFAOYSA-N
MW233.15 g/mol
LogP3.12
Rot. Bonds2

About 6-(bromomethyl)-2-cyclopropyl-2-methyloxane

6-(bromomethyl)-2-cyclopropyl-2-methyloxane (PubChem CID 126983630) has the molecular formula C10H17BrO and a molecular weight of 233.15 g/mol. Its IUPAC name is 6-(bromomethyl)-2-cyclopropyl-2-methyloxane.

Molecular Properties

Compound Name6-(bromomethyl)-2-cyclopropyl-2-methyloxane
PubChem CID126983630
Molecular FormulaC10H17BrO
Molecular Weight233.15 g/mol
Exact Mass232.05
IUPAC Name6-(bromomethyl)-2-cyclopropyl-2-methyloxane
SMILESCC1(C2CC2)CCCC(CBr)O1
InChIInChI=1S/C10H17BrO/c1-10(8-4-5-8)6-2-3-9(7-11)12-10/h8-9H,2-7H2,1H3
InChIKeyALKCWPQGKNYQBJ-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-(bromomethyl)-2-cyclopropyl-2-methyloxane 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 6-(bromomethyl)-2-cyclopropyl-2-methyloxane?
The IUPAC name of 6-(bromomethyl)-2-cyclopropyl-2-methyloxane (CID 126983630) is 6-(bromomethyl)-2-cyclopropyl-2-methyloxane.
What is the SMILES notation for 6-(bromomethyl)-2-cyclopropyl-2-methyloxane?
The canonical SMILES for 6-(bromomethyl)-2-cyclopropyl-2-methyloxane is CC1(C2CC2)CCCC(CBr)O1.
What is the InChIKey of 6-(bromomethyl)-2-cyclopropyl-2-methyloxane?
The InChIKey is ALKCWPQGKNYQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrO/c1-10(8-4-5-8)6-2-3-9(7-11)12-10/h8-9H,2-7H2,1H3.
What are the key properties of 6-(bromomethyl)-2-cyclopropyl-2-methyloxane?
6-(bromomethyl)-2-cyclopropyl-2-methyloxane has a molecular weight of 233.15 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2-cyclopropyl-2-methyloxane is sourced from PubChem (CID 126983630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).