3-azido-1,1-diethoxybutan-2-ol

C8H17N3O3 — CID 14604202

IUPAC3-azido-1,1-diethoxybutan-2-ol
SMILESCCOC(OCC)C(O)C(C)N=[N+]=[N-]
InChIInChI=1S/C8H17N3O3/c1-4-13-8(14-5-2)7(12)6(3)10-11-9/h6-8,12H,4-5H2,1-3H3
InChIKeyBGNOSSLGWNFXAY-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.45
Rot. Bonds7

About 3-azido-1,1-diethoxybutan-2-ol

3-azido-1,1-diethoxybutan-2-ol (PubChem CID 14604202) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-azido-1,1-diethoxybutan-2-ol.

Molecular Properties

Compound Name3-azido-1,1-diethoxybutan-2-ol
PubChem CID14604202
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name3-azido-1,1-diethoxybutan-2-ol
SMILESCCOC(OCC)C(O)C(C)N=[N+]=[N-]
InChIInChI=1S/C8H17N3O3/c1-4-13-8(14-5-2)7(12)6(3)10-11-9/h6-8,12H,4-5H2,1-3H3
InChIKeyBGNOSSLGWNFXAY-UHFFFAOYSA-N
XLogP1.45
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-2-azido-4,4-diethoxybutane-1,3-diol
CID 10976957
ethyl (2R,3R)-3-azido-2-hydroxybutanoate
CID 10866810
tert-butyl 2-[(2S)-3-[(1R)-2-azido-1-ethoxypropoxy]-2,4-dihydroxybutoxy]acetate
CID 89263192
1-[azido-[azido(ethoxy)methyl]sulfinylmethoxy]ethane;phosphoric acid
CID 175369878
ethyl (2S)-2-azidopropanoate
CID 15266179
(2R,3R)-1,1,3-triethoxy-2-methylbutane
CID 129365387
3-azido-2-ethylbutanoic acid
CID 151456809
CID 159597367
CID 159597367
2,4-diazidopentane
CID 78066525
1-ethoxy-1-(1-ethoxy-3-methylbutan-2-yl)oxy-3-methylbutan-2-ol
CID 57184429
2-ethoxy-4-methylpentan-3-ol
CID 64541763
(2R)-1,1-diethoxy-3-fluoropropan-2-ol
CID 131846513

Frequently Asked Questions

What is the IUPAC name of 3-azido-1,1-diethoxybutan-2-ol?
The IUPAC name of 3-azido-1,1-diethoxybutan-2-ol (CID 14604202) is 3-azido-1,1-diethoxybutan-2-ol.
What is the SMILES notation for 3-azido-1,1-diethoxybutan-2-ol?
The canonical SMILES for 3-azido-1,1-diethoxybutan-2-ol is CCOC(OCC)C(O)C(C)N=[N+]=[N-].
What is the InChIKey of 3-azido-1,1-diethoxybutan-2-ol?
The InChIKey is BGNOSSLGWNFXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-4-13-8(14-5-2)7(12)6(3)10-11-9/h6-8,12H,4-5H2,1-3H3.
What are the key properties of 3-azido-1,1-diethoxybutan-2-ol?
3-azido-1,1-diethoxybutan-2-ol has a molecular weight of 203.24 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1,1-diethoxybutan-2-ol is sourced from PubChem (CID 14604202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).