1-(dibromomethoxy)hexane

C7H14Br2O — CID 57170695

IUPAC1-(dibromomethoxy)hexane
SMILESCCCCCCOC(Br)Br
InChIInChI=1S/C7H14Br2O/c1-2-3-4-5-6-10-7(8)9/h7H,2-6H2,1H3
InChIKeyNQBBEKMAGJKEAL-UHFFFAOYSA-N
MW274.00 g/mol
LogP3.66
Rot. Bonds6

About 1-(dibromomethoxy)hexane

1-(dibromomethoxy)hexane (PubChem CID 57170695) has the molecular formula C7H14Br2O and a molecular weight of 274.00 g/mol. Its IUPAC name is 1-(dibromomethoxy)hexane.

Molecular Properties

Compound Name1-(dibromomethoxy)hexane
PubChem CID57170695
Molecular FormulaC7H14Br2O
Molecular Weight274.00 g/mol
Exact Mass271.94
IUPAC Name1-(dibromomethoxy)hexane
SMILESCCCCCCOC(Br)Br
InChIInChI=1S/C7H14Br2O/c1-2-3-4-5-6-10-7(8)9/h7H,2-6H2,1H3
InChIKeyNQBBEKMAGJKEAL-UHFFFAOYSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.00
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(dibromomethoxy)hexane 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 1-(dibromomethoxy)hexane?
The IUPAC name of 1-(dibromomethoxy)hexane (CID 57170695) is 1-(dibromomethoxy)hexane.
What is the SMILES notation for 1-(dibromomethoxy)hexane?
The canonical SMILES for 1-(dibromomethoxy)hexane is CCCCCCOC(Br)Br.
What is the InChIKey of 1-(dibromomethoxy)hexane?
The InChIKey is NQBBEKMAGJKEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14Br2O/c1-2-3-4-5-6-10-7(8)9/h7H,2-6H2,1H3.
What are the key properties of 1-(dibromomethoxy)hexane?
1-(dibromomethoxy)hexane has a molecular weight of 274.00 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibromomethoxy)hexane is sourced from PubChem (CID 57170695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).