8,8-dibromooctan-1-ol

C8H16Br2O — CID 87333664

IUPAC8,8-dibromooctan-1-ol
SMILESOCCCCCCCC(Br)Br
InChIInChI=1S/C8H16Br2O/c9-8(10)6-4-2-1-3-5-7-11/h8,11H,1-7H2
InChIKeyJYLWFGFOCPNAOP-UHFFFAOYSA-N
MW288.02 g/mol
LogP3.44
Rot. Bonds7

About 8,8-dibromooctan-1-ol

8,8-dibromooctan-1-ol (PubChem CID 87333664) has the molecular formula C8H16Br2O and a molecular weight of 288.02 g/mol. Its IUPAC name is 8,8-dibromooctan-1-ol.

Molecular Properties

Compound Name8,8-dibromooctan-1-ol
PubChem CID87333664
Molecular FormulaC8H16Br2O
Molecular Weight288.02 g/mol
Exact Mass285.96
IUPAC Name8,8-dibromooctan-1-ol
SMILESOCCCCCCCC(Br)Br
InChIInChI=1S/C8H16Br2O/c9-8(10)6-4-2-1-3-5-7-11/h8,11H,1-7H2
InChIKeyJYLWFGFOCPNAOP-UHFFFAOYSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.02
LogP ≤ 53.44
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 8,8-dibromooctan-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

9-bromodecan-1-ol
CID 18177035
8-bromononan-1-ol
CID 18177005
1,1,13-tribromotridecane
CID 118276299
1,1,15-tribromopentadecane
CID 118275782
heptacosane-1,10,27-triol
CID 56980866
hexacosane-1,8,19,26-tetrol
CID 167004997
hexadecane-1,8,16-triol
CID 11403100
(7R)-9-bromo-7-methylnonan-1-ol
CID 139766854
hexane-1,6-diol;octane-1,8-diol
CID 21202869
pentadecane-1,15-diol
CID 518994
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055

Frequently Asked Questions

What is the IUPAC name of 8,8-dibromooctan-1-ol?
The IUPAC name of 8,8-dibromooctan-1-ol (CID 87333664) is 8,8-dibromooctan-1-ol.
What is the SMILES notation for 8,8-dibromooctan-1-ol?
The canonical SMILES for 8,8-dibromooctan-1-ol is OCCCCCCCC(Br)Br.
What is the InChIKey of 8,8-dibromooctan-1-ol?
The InChIKey is JYLWFGFOCPNAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Br2O/c9-8(10)6-4-2-1-3-5-7-11/h8,11H,1-7H2.
What are the key properties of 8,8-dibromooctan-1-ol?
8,8-dibromooctan-1-ol has a molecular weight of 288.02 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dibromooctan-1-ol is sourced from PubChem (CID 87333664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).