(12R)-12-azidotridecan-1-ol

C13H27N3O — CID 102293443

IUPAC(12R)-12-azidotridecan-1-ol
SMILESC[C@H](CCCCCCCCCCCO)N=[N+]=[N-]
InChIInChI=1S/C13H27N3O/c1-13(15-16-14)11-9-7-5-3-2-4-6-8-10-12-17/h13,17H,2-12H2,1H3/t13-/m1/s1
InChIKeyZETHXFJLMLQFOK-CYBMUJFWSA-N
MW241.38 g/mol
LogP4.58
Rot. Bonds12

About (12R)-12-azidotridecan-1-ol

(12R)-12-azidotridecan-1-ol (PubChem CID 102293443) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is (12R)-12-azidotridecan-1-ol.

Molecular Properties

Compound Name(12R)-12-azidotridecan-1-ol
PubChem CID102293443
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name(12R)-12-azidotridecan-1-ol
SMILESC[C@H](CCCCCCCCCCCO)N=[N+]=[N-]
InChIInChI=1S/C13H27N3O/c1-13(15-16-14)11-9-7-5-3-2-4-6-8-10-12-17/h13,17H,2-12H2,1H3/t13-/m1/s1
InChIKeyZETHXFJLMLQFOK-CYBMUJFWSA-N
XLogP4.58
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.58
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

(2R)-2-azidohexadecane
CID 174670947
(2S)-2-azidononane
CID 102115708
1,4-diazidopentane
CID 10820774
2,4-diazidopentane
CID 78066525
4-azidopentyl acetate
CID 118324349
(7S)-7-chlorooctan-1-ol
CID 139766875
14-methylhexadecan-1-ol
CID 5283264
(10S)-10-methyldodecan-1-ol
CID 11715372
(7S)-7-methylnonan-1-ol
CID 11105641
(11S)-11-methyltridecan-1-ol
CID 71389600
3-azido-10-methylundecanoic acid
CID 139971697
2-azido-1-fluoropropane
CID 90071862

Frequently Asked Questions

What is the IUPAC name of (12R)-12-azidotridecan-1-ol?
The IUPAC name of (12R)-12-azidotridecan-1-ol (CID 102293443) is (12R)-12-azidotridecan-1-ol.
What is the SMILES notation for (12R)-12-azidotridecan-1-ol?
The canonical SMILES for (12R)-12-azidotridecan-1-ol is C[C@H](CCCCCCCCCCCO)N=[N+]=[N-].
What is the InChIKey of (12R)-12-azidotridecan-1-ol?
The InChIKey is ZETHXFJLMLQFOK-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H27N3O/c1-13(15-16-14)11-9-7-5-3-2-4-6-8-10-12-17/h13,17H,2-12H2,1H3/t13-/m1/s1.
What are the key properties of (12R)-12-azidotridecan-1-ol?
(12R)-12-azidotridecan-1-ol has a molecular weight of 241.38 g/mol, XLogP of 4.58, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (12R)-12-azidotridecan-1-ol is sourced from PubChem (CID 102293443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).