2-(bromomethyl)-4-[(5,5-dimethyloxolan-2-yl)methyl]-6-methylmorpholine

C13H24BrNO2 — CID 102936830

IUPAC2-(bromomethyl)-4-[(5,5-dimethyloxolan-2-yl)methyl]-6-methylmorpholine
SMILESCC1CN(CC2CCC(C)(C)O2)CC(CBr)O1
InChIInChI=1S/C13H24BrNO2/c1-10-7-15(9-12(6-14)16-10)8-11-4-5-13(2,3)17-11/h10-12H,4-9H2,1-3H3
InChIKeyBHQWMPANELTWKB-UHFFFAOYSA-N
MW306.24 g/mol
LogP2.43
Rot. Bonds3

About 2-(bromomethyl)-4-[(5,5-dimethyloxolan-2-yl)methyl]-6-methylmorpholine

2-(bromomethyl)-4-[(5,5-dimethyloxolan-2-yl)methyl]-6-methylmorpholine (PubChem CID 102936830) has the molecular formula C13H24BrNO2 and a molecular weight of 306.24 g/mol. Its IUPAC name is 2-(bromomethyl)-4-[(5,5-dimethyloxolan-2-yl)methyl]-6-methylmorpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-[(5,5-dimethyloxolan-2-yl)methyl]-6-methylmorpholine
PubChem CID102936830
Molecular FormulaC13H24BrNO2
Molecular Weight306.24 g/mol
Exact Mass305.10
IUPAC Name2-(bromomethyl)-4-[(5,5-dimethyloxolan-2-yl)methyl]-6-methylmorpholine
SMILESCC1CN(CC2CCC(C)(C)O2)CC(CBr)O1
InChIInChI=1S/C13H24BrNO2/c1-10-7-15(9-12(6-14)16-10)8-11-4-5-13(2,3)17-11/h10-12H,4-9H2,1-3H3
InChIKeyBHQWMPANELTWKB-UHFFFAOYSA-N
XLogP2.43
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(bromomethyl)-4-[(5,5-dimethyloxolan-2-yl)methyl]-6-methylmorpholine?
The IUPAC name of 2-(bromomethyl)-4-[(5,5-dimethyloxolan-2-yl)methyl]-6-methylmorpholine (CID 102936830) is 2-(bromomethyl)-4-[(5,5-dimethyloxolan-2-yl)methyl]-6-methylmorpholine.
What is the SMILES notation for 2-(bromomethyl)-4-[(5,5-dimethyloxolan-2-yl)methyl]-6-methylmorpholine?
The canonical SMILES for 2-(bromomethyl)-4-[(5,5-dimethyloxolan-2-yl)methyl]-6-methylmorpholine is CC1CN(CC2CCC(C)(C)O2)CC(CBr)O1.
What is the InChIKey of 2-(bromomethyl)-4-[(5,5-dimethyloxolan-2-yl)methyl]-6-methylmorpholine?
The InChIKey is BHQWMPANELTWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO2/c1-10-7-15(9-12(6-14)16-10)8-11-4-5-13(2,3)17-11/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-(bromomethyl)-4-[(5,5-dimethyloxolan-2-yl)methyl]-6-methylmorpholine?
2-(bromomethyl)-4-[(5,5-dimethyloxolan-2-yl)methyl]-6-methylmorpholine has a molecular weight of 306.24 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-[(5,5-dimethyloxolan-2-yl)methyl]-6-methylmorpholine is sourced from PubChem (CID 102936830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).