2,2,3,3-tetrabromooctan-1-ol

C8H14Br4O — CID 141280885

IUPAC2,2,3,3-tetrabromooctan-1-ol
SMILESCCCCCC(Br)(Br)C(Br)(Br)CO
InChIInChI=1S/C8H14Br4O/c1-2-3-4-5-7(9,10)8(11,12)6-13/h13H,2-6H2,1H3
InChIKeyCXYDHSLRILXUOL-UHFFFAOYSA-N
MW445.82 g/mol
LogP4.53
Rot. Bonds6

About 2,2,3,3-tetrabromooctan-1-ol

2,2,3,3-tetrabromooctan-1-ol (PubChem CID 141280885) has the molecular formula C8H14Br4O and a molecular weight of 445.82 g/mol. Its IUPAC name is 2,2,3,3-tetrabromooctan-1-ol.

Molecular Properties

Compound Name2,2,3,3-tetrabromooctan-1-ol
PubChem CID141280885
Molecular FormulaC8H14Br4O
Molecular Weight445.82 g/mol
Exact Mass441.78
IUPAC Name2,2,3,3-tetrabromooctan-1-ol
SMILESCCCCCC(Br)(Br)C(Br)(Br)CO
InChIInChI=1S/C8H14Br4O/c1-2-3-4-5-7(9,10)8(11,12)6-13/h13H,2-6H2,1H3
InChIKeyCXYDHSLRILXUOL-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.82
LogP ≤ 54.53
H-Bond Donors ≤ 51
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 2,2,3,3-tetrabromooctan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-nitropentadecan-1-ol
CID 87201114
2-propyloctane-1,2-diol
CID 88923937
2,3-dipentyloctane-1,2,3-triol
CID 87058897
2,2-di(undecyl)tridecan-1-ol
CID 176610401
2,2-dioctyldecan-1-ol
CID 87374856
2-bromo-2-methoxydecan-1-ol
CID 174989815
2-methyl-2-nitrooctadecan-1-ol;nitric acid
CID 88682090
12-bromo-12-undecyltricosane
CID 88743185
1,1,1-tribromononadecane
CID 118275809
1,1,1-tribromopentadecane
CID 118275781
2-methyl-2-octyltridecan-1-ol
CID 138517447
2-dodecyl-2-methylhexadecan-1-ol
CID 138503707

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrabromooctan-1-ol?
The IUPAC name of 2,2,3,3-tetrabromooctan-1-ol (CID 141280885) is 2,2,3,3-tetrabromooctan-1-ol.
What is the SMILES notation for 2,2,3,3-tetrabromooctan-1-ol?
The canonical SMILES for 2,2,3,3-tetrabromooctan-1-ol is CCCCCC(Br)(Br)C(Br)(Br)CO.
What is the InChIKey of 2,2,3,3-tetrabromooctan-1-ol?
The InChIKey is CXYDHSLRILXUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Br4O/c1-2-3-4-5-7(9,10)8(11,12)6-13/h13H,2-6H2,1H3.
What are the key properties of 2,2,3,3-tetrabromooctan-1-ol?
2,2,3,3-tetrabromooctan-1-ol has a molecular weight of 445.82 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrabromooctan-1-ol is sourced from PubChem (CID 141280885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).