3,3-bis(bromomethyl)-1-(2-methoxyethoxy)-5-methylhexane

C12H24Br2O2 — CID 79452780

IUPAC3,3-bis(bromomethyl)-1-(2-methoxyethoxy)-5-methylhexane
SMILESCOCCOCCC(CBr)(CBr)CC(C)C
InChIInChI=1S/C12H24Br2O2/c1-11(2)8-12(9-13,10-14)4-5-16-7-6-15-3/h11H,4-10H2,1-3H3
InChIKeyDXIGYUCXBXNUDZ-UHFFFAOYSA-N
MW360.13 g/mol
LogP3.86
Rot. Bonds10

About 3,3-bis(bromomethyl)-1-(2-methoxyethoxy)-5-methylhexane

3,3-bis(bromomethyl)-1-(2-methoxyethoxy)-5-methylhexane (PubChem CID 79452780) has the molecular formula C12H24Br2O2 and a molecular weight of 360.13 g/mol. Its IUPAC name is 3,3-bis(bromomethyl)-1-(2-methoxyethoxy)-5-methylhexane.

Molecular Properties

Compound Name3,3-bis(bromomethyl)-1-(2-methoxyethoxy)-5-methylhexane
PubChem CID79452780
Molecular FormulaC12H24Br2O2
Molecular Weight360.13 g/mol
Exact Mass358.01
IUPAC Name3,3-bis(bromomethyl)-1-(2-methoxyethoxy)-5-methylhexane
SMILESCOCCOCCC(CBr)(CBr)CC(C)C
InChIInChI=1S/C12H24Br2O2/c1-11(2)8-12(9-13,10-14)4-5-16-7-6-15-3/h11H,4-10H2,1-3H3
InChIKeyDXIGYUCXBXNUDZ-UHFFFAOYSA-N
XLogP3.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.13
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-3,4-dimethylpentane
CID 104568791
1-bromo-2-(bromomethyl)-4-(2-methoxyethoxy)-2-methylbutane
CID 79453199
4,4-bis(bromomethyl)-2,6-dimethylheptane
CID 79453294
3-(bromomethyl)-1-(2-methoxyethoxy)-3-methylpentane
CID 66050495
3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-3-methylhexane
CID 104568722
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
3-(chloromethyl)-3-ethyl-1-[2-(2-methoxyethoxy)ethoxy]pentane
CID 104568681
1-[2-(bromomethoxy)ethoxy]-2-methoxyethane
CID 171854698
2-(2-methylpropyl)-2-(2-propoxyethyl)propane-1,3-diol
CID 106459753
3,3-bis(bromomethyl)-1-(2-methylpropoxy)hexane
CID 106459822

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(bromomethyl)-1-(2-methoxyethoxy)-5-methylhexane?
The IUPAC name of 3,3-bis(bromomethyl)-1-(2-methoxyethoxy)-5-methylhexane (CID 79452780) is 3,3-bis(bromomethyl)-1-(2-methoxyethoxy)-5-methylhexane.
What is the SMILES notation for 3,3-bis(bromomethyl)-1-(2-methoxyethoxy)-5-methylhexane?
The canonical SMILES for 3,3-bis(bromomethyl)-1-(2-methoxyethoxy)-5-methylhexane is COCCOCCC(CBr)(CBr)CC(C)C.
What is the InChIKey of 3,3-bis(bromomethyl)-1-(2-methoxyethoxy)-5-methylhexane?
The InChIKey is DXIGYUCXBXNUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24Br2O2/c1-11(2)8-12(9-13,10-14)4-5-16-7-6-15-3/h11H,4-10H2,1-3H3.
What are the key properties of 3,3-bis(bromomethyl)-1-(2-methoxyethoxy)-5-methylhexane?
3,3-bis(bromomethyl)-1-(2-methoxyethoxy)-5-methylhexane has a molecular weight of 360.13 g/mol, XLogP of 3.86, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(bromomethyl)-1-(2-methoxyethoxy)-5-methylhexane is sourced from PubChem (CID 79452780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).