6-azido-1,1-dideuteriohexan-1-ol

C6H13N3O — CID 175904391

IUPAC6-azido-1,1-dideuteriohexan-1-ol
SMILES[2H]C([2H])(O)CCCCCN=[N+]=[N-]
InChIInChI=1S/C6H13N3O/c7-9-8-5-3-1-2-4-6-10/h10H,1-6H2/i6D2
InChIKeyWHYHCPIPOSTZRU-NCYHJHSESA-N
MW145.20 g/mol
LogP1.85
Rot. Bonds6

About 6-azido-1,1-dideuteriohexan-1-ol

6-azido-1,1-dideuteriohexan-1-ol (PubChem CID 175904391) has the molecular formula C6H13N3O and a molecular weight of 145.20 g/mol. Its IUPAC name is 6-azido-1,1-dideuteriohexan-1-ol.

Molecular Properties

Compound Name6-azido-1,1-dideuteriohexan-1-ol
PubChem CID175904391
Molecular FormulaC6H13N3O
Molecular Weight145.20 g/mol
Exact Mass145.12
IUPAC Name6-azido-1,1-dideuteriohexan-1-ol
SMILES[2H]C([2H])(O)CCCCCN=[N+]=[N-]
InChIInChI=1S/C6H13N3O/c7-9-8-5-3-1-2-4-6-10/h10H,1-6H2/i6D2
InChIKeyWHYHCPIPOSTZRU-NCYHJHSESA-N
XLogP1.85
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.85
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

1,14-diazidotetradecane
CID 146463967
6-azidohexan-1-ol
CID 11051778
10-azidodecan-1-ol
CID 4641376
8-azidooctan-1-ol
CID 11789665
3-azidopropan-1-ol
CID 10996974
6-azidohexan-1-ol;6-bromohexan-1-ol
CID 159972484
1-azidotriacontane
CID 71752669
9-azidononan-1-amine
CID 122424851
9-azidononane-1-thiol
CID 89455155
1-azidohexadecane
CID 11230945
(2S)-5-azidopentane-1,2-diol
CID 22854627
9-azidononanoic acid
CID 15230549

Frequently Asked Questions

What is the IUPAC name of 6-azido-1,1-dideuteriohexan-1-ol?
The IUPAC name of 6-azido-1,1-dideuteriohexan-1-ol (CID 175904391) is 6-azido-1,1-dideuteriohexan-1-ol.
What is the SMILES notation for 6-azido-1,1-dideuteriohexan-1-ol?
The canonical SMILES for 6-azido-1,1-dideuteriohexan-1-ol is [2H]C([2H])(O)CCCCCN=[N+]=[N-].
What is the InChIKey of 6-azido-1,1-dideuteriohexan-1-ol?
The InChIKey is WHYHCPIPOSTZRU-NCYHJHSESA-N. The full InChI is InChI=1S/C6H13N3O/c7-9-8-5-3-1-2-4-6-10/h10H,1-6H2/i6D2.
What are the key properties of 6-azido-1,1-dideuteriohexan-1-ol?
6-azido-1,1-dideuteriohexan-1-ol has a molecular weight of 145.20 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-1,1-dideuteriohexan-1-ol is sourced from PubChem (CID 175904391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).