8-azidooctan-1-ol

C8H17N3O — CID 11789665

IUPAC8-azidooctan-1-ol
SMILES[N-]=[N+]=NCCCCCCCCO
InChIInChI=1S/C8H17N3O/c9-11-10-7-5-3-1-2-4-6-8-12/h12H,1-8H2
InChIKeyBUXZAPDMVRBVOR-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.63
Rot. Bonds8

About 8-azidooctan-1-ol

8-azidooctan-1-ol (PubChem CID 11789665) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 8-azidooctan-1-ol.

Molecular Properties

Compound Name8-azidooctan-1-ol
PubChem CID11789665
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name8-azidooctan-1-ol
SMILES[N-]=[N+]=NCCCCCCCCO
InChIInChI=1S/C8H17N3O/c9-11-10-7-5-3-1-2-4-6-8-12/h12H,1-8H2
InChIKeyBUXZAPDMVRBVOR-UHFFFAOYSA-N
XLogP2.63
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

6-azidohexan-1-ol
CID 11051778
10-azidodecan-1-ol
CID 4641376
6-azidohexan-1-ol;6-bromohexan-1-ol
CID 159972484
3-azidopropan-1-ol
CID 10996974
1,14-diazidotetradecane
CID 146463967
6-azido-1,1-dideuteriohexan-1-ol
CID 175904391
[2,3,4,5,6-pentakis(11-azidoundecanoyloxy)cyclohexyl] 11-azidoundecanoate
CID 102393083
9-azidononane-1-thiol
CID 89455155
9-azidononan-1-amine
CID 122424851
1-azidotriacontane
CID 71752669
CID 167612396
CID 167612396
9-azidononanoic acid
CID 15230549

Frequently Asked Questions

What is the IUPAC name of 8-azidooctan-1-ol?
The IUPAC name of 8-azidooctan-1-ol (CID 11789665) is 8-azidooctan-1-ol.
What is the SMILES notation for 8-azidooctan-1-ol?
The canonical SMILES for 8-azidooctan-1-ol is [N-]=[N+]=NCCCCCCCCO.
What is the InChIKey of 8-azidooctan-1-ol?
The InChIKey is BUXZAPDMVRBVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c9-11-10-7-5-3-1-2-4-6-8-12/h12H,1-8H2.
What are the key properties of 8-azidooctan-1-ol?
8-azidooctan-1-ol has a molecular weight of 171.24 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azidooctan-1-ol is sourced from PubChem (CID 11789665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).