dibromomethane;2,4,6-trimethyl-1,3,5-trioxane

C7H14Br2O3 — CID 139147591

IUPACdibromomethane;2,4,6-trimethyl-1,3,5-trioxane
SMILESBrCBr.C[C@H]1O[C@@H](C)O[C@@H](C)O1
InChIInChI=1S/C6H12O3.CH2Br2/c1-4-7-5(2)9-6(3)8-4;2-1-3/h4-6H,1-3H3;1H2/t4-,5+,6-;
InChIKeyLELVMGSOSIZAGA-DKRSLUPJSA-N
MW305.99 g/mol
LogP2.82
Rot. Bonds

About dibromomethane;2,4,6-trimethyl-1,3,5-trioxane

dibromomethane;2,4,6-trimethyl-1,3,5-trioxane (PubChem CID 139147591) has the molecular formula C7H14Br2O3 and a molecular weight of 305.99 g/mol. Its IUPAC name is dibromomethane;2,4,6-trimethyl-1,3,5-trioxane.

Molecular Properties

Compound Namedibromomethane;2,4,6-trimethyl-1,3,5-trioxane
PubChem CID139147591
Molecular FormulaC7H14Br2O3
Molecular Weight305.99 g/mol
Exact Mass303.93
IUPAC Namedibromomethane;2,4,6-trimethyl-1,3,5-trioxane
SMILESBrCBr.C[C@H]1O[C@@H](C)O[C@@H](C)O1
InChIInChI=1S/C6H12O3.CH2Br2/c1-4-7-5(2)9-6(3)8-4;2-1-3/h4-6H,1-3H3;1H2/t4-,5+,6-;
InChIKeyLELVMGSOSIZAGA-DKRSLUPJSA-N
XLogP2.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.99
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

formaldehyde;2,4,6-trimethyl-1,3,5-trioxane
CID 68622312
ethylidenetungsten;2,4,6-trimethyl-1,3,5-trioxane
CID 159571536
(4S,5S)-2-(bromomethyl)-4,5-dimethyl-1,3-dioxolane
CID 131166569
4,5-dichloro-2-methyl-1,3-dioxolane
CID 54239715
ethane;4-methyl-3,5-dioxatricyclo[5.2.2.02,6]undecane
CID 177226765
5-(fluoromethyl)-2,4,6-trimethyl-1,3-dioxane
CID 171762055
4,6-bis(chloromethyl)-2-methyl-1,3,5-dioxathiane
CID 12549598
4-(fluoromethyl)-2,5-dimethyl-1,3-dioxolane
CID 171762031
4,5-dimethoxy-2-methyl-1,3-dioxolane
CID 66843015
1-(4-methyl-1,3-dioxetan-2-yl)propan-2-amine
CID 70217294
2-but-2-enyl-4-methyl-1,3-dioxetane
CID 69303786
2-cyclohexyl-4,6-dimethyl-1,3,5-trioxane
CID 85404965

Frequently Asked Questions

What is the IUPAC name of dibromomethane;2,4,6-trimethyl-1,3,5-trioxane?
The IUPAC name of dibromomethane;2,4,6-trimethyl-1,3,5-trioxane (CID 139147591) is dibromomethane;2,4,6-trimethyl-1,3,5-trioxane.
What is the SMILES notation for dibromomethane;2,4,6-trimethyl-1,3,5-trioxane?
The canonical SMILES for dibromomethane;2,4,6-trimethyl-1,3,5-trioxane is BrCBr.C[C@H]1O[C@@H](C)O[C@@H](C)O1.
What is the InChIKey of dibromomethane;2,4,6-trimethyl-1,3,5-trioxane?
The InChIKey is LELVMGSOSIZAGA-DKRSLUPJSA-N. The full InChI is InChI=1S/C6H12O3.CH2Br2/c1-4-7-5(2)9-6(3)8-4;2-1-3/h4-6H,1-3H3;1H2/t4-,5+,6-;.
What are the key properties of dibromomethane;2,4,6-trimethyl-1,3,5-trioxane?
dibromomethane;2,4,6-trimethyl-1,3,5-trioxane has a molecular weight of 305.99 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibromomethane;2,4,6-trimethyl-1,3,5-trioxane is sourced from PubChem (CID 139147591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).