5-[5-(bromomethyl)-5-methoxyoxolan-2-yl]-5-methyloxolan-2-one

C11H17BrO4 — CID 12944771

IUPAC5-[5-(bromomethyl)-5-methoxyoxolan-2-yl]-5-methyloxolan-2-one
SMILESCOC1(CBr)CCC(C2(C)CCC(=O)O2)O1
InChIInChI=1S/C11H17BrO4/c1-10(5-4-9(13)16-10)8-3-6-11(7-12,14-2)15-8/h8H,3-7H2,1-2H3
InChIKeyVOEJJDCBBKYZBU-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.00
Rot. Bonds3

About 5-[5-(bromomethyl)-5-methoxyoxolan-2-yl]-5-methyloxolan-2-one

5-[5-(bromomethyl)-5-methoxyoxolan-2-yl]-5-methyloxolan-2-one (PubChem CID 12944771) has the molecular formula C11H17BrO4 and a molecular weight of 293.16 g/mol. Its IUPAC name is 5-[5-(bromomethyl)-5-methoxyoxolan-2-yl]-5-methyloxolan-2-one.

Molecular Properties

Compound Name5-[5-(bromomethyl)-5-methoxyoxolan-2-yl]-5-methyloxolan-2-one
PubChem CID12944771
Molecular FormulaC11H17BrO4
Molecular Weight293.16 g/mol
Exact Mass292.03
IUPAC Name5-[5-(bromomethyl)-5-methoxyoxolan-2-yl]-5-methyloxolan-2-one
SMILESCOC1(CBr)CCC(C2(C)CCC(=O)O2)O1
InChIInChI=1S/C11H17BrO4/c1-10(5-4-9(13)16-10)8-3-6-11(7-12,14-2)15-8/h8H,3-7H2,1-2H3
InChIKeyVOEJJDCBBKYZBU-UHFFFAOYSA-N
XLogP2.00
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[5-(bromomethyl)-5-methoxyoxolan-2-yl]-5-methyloxolan-2-one 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 5-[5-(bromomethyl)-5-methoxyoxolan-2-yl]-5-methyloxolan-2-one?
The IUPAC name of 5-[5-(bromomethyl)-5-methoxyoxolan-2-yl]-5-methyloxolan-2-one (CID 12944771) is 5-[5-(bromomethyl)-5-methoxyoxolan-2-yl]-5-methyloxolan-2-one.
What is the SMILES notation for 5-[5-(bromomethyl)-5-methoxyoxolan-2-yl]-5-methyloxolan-2-one?
The canonical SMILES for 5-[5-(bromomethyl)-5-methoxyoxolan-2-yl]-5-methyloxolan-2-one is COC1(CBr)CCC(C2(C)CCC(=O)O2)O1.
What is the InChIKey of 5-[5-(bromomethyl)-5-methoxyoxolan-2-yl]-5-methyloxolan-2-one?
The InChIKey is VOEJJDCBBKYZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrO4/c1-10(5-4-9(13)16-10)8-3-6-11(7-12,14-2)15-8/h8H,3-7H2,1-2H3.
What are the key properties of 5-[5-(bromomethyl)-5-methoxyoxolan-2-yl]-5-methyloxolan-2-one?
5-[5-(bromomethyl)-5-methoxyoxolan-2-yl]-5-methyloxolan-2-one has a molecular weight of 293.16 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(bromomethyl)-5-methoxyoxolan-2-yl]-5-methyloxolan-2-one is sourced from PubChem (CID 12944771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).