6-azidohexan-1-ol;6-bromohexan-1-ol

C12H26BrN3O2 — CID 159972484

IUPAC6-azidohexan-1-ol;6-bromohexan-1-ol
SMILESOCCCCCCBr.[N-]=[N+]=NCCCCCCO
InChIInChI=1S/C6H13BrO.C6H13N3O/c7-5-3-1-2-4-6-8;7-9-8-5-3-1-2-4-6-10/h8H,1-6H2;10H,1-6H2
InChIKeyOESNUWMYLLTZAN-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.78
Rot. Bonds11

About 6-azidohexan-1-ol;6-bromohexan-1-ol

6-azidohexan-1-ol;6-bromohexan-1-ol (PubChem CID 159972484) has the molecular formula C12H26BrN3O2 and a molecular weight of 324.26 g/mol. Its IUPAC name is 6-azidohexan-1-ol;6-bromohexan-1-ol.

Molecular Properties

Compound Name6-azidohexan-1-ol;6-bromohexan-1-ol
PubChem CID159972484
Molecular FormulaC12H26BrN3O2
Molecular Weight324.26 g/mol
Exact Mass323.12
IUPAC Name6-azidohexan-1-ol;6-bromohexan-1-ol
SMILESOCCCCCCBr.[N-]=[N+]=NCCCCCCO
InChIInChI=1S/C6H13BrO.C6H13N3O/c7-5-3-1-2-4-6-8;7-9-8-5-3-1-2-4-6-10/h8H,1-6H2;10H,1-6H2
InChIKeyOESNUWMYLLTZAN-UHFFFAOYSA-N
XLogP3.78
TPSA89.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

6-azidohexan-1-ol
CID 11051778
10-azidodecan-1-ol
CID 4641376
8-azidooctan-1-ol
CID 11789665
3-azidopropan-1-ol
CID 10996974
9-azidononanoic acid;9-bromononanoic acid
CID 160878363
1,14-diazidotetradecane
CID 146463967
16-bromohexadecan-1-ol
CID 2757013
6-azido-1,1-dideuteriohexan-1-ol
CID 175904391
1-azido-10-bromodecane;triphenylphosphane
CID 134561974
[2,3,4,5,6-pentakis(11-azidoundecanoyloxy)cyclohexyl] 11-azidoundecanoate
CID 102393083
1-azidotriacontane
CID 71752669
1-azidohexadecane
CID 11230945

Frequently Asked Questions

What is the IUPAC name of 6-azidohexan-1-ol;6-bromohexan-1-ol?
The IUPAC name of 6-azidohexan-1-ol;6-bromohexan-1-ol (CID 159972484) is 6-azidohexan-1-ol;6-bromohexan-1-ol.
What is the SMILES notation for 6-azidohexan-1-ol;6-bromohexan-1-ol?
The canonical SMILES for 6-azidohexan-1-ol;6-bromohexan-1-ol is OCCCCCCBr.[N-]=[N+]=NCCCCCCO.
What is the InChIKey of 6-azidohexan-1-ol;6-bromohexan-1-ol?
The InChIKey is OESNUWMYLLTZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BrO.C6H13N3O/c7-5-3-1-2-4-6-8;7-9-8-5-3-1-2-4-6-10/h8H,1-6H2;10H,1-6H2.
What are the key properties of 6-azidohexan-1-ol;6-bromohexan-1-ol?
6-azidohexan-1-ol;6-bromohexan-1-ol has a molecular weight of 324.26 g/mol, XLogP of 3.78, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azidohexan-1-ol;6-bromohexan-1-ol is sourced from PubChem (CID 159972484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).