1-azido-3-(1-methoxypropan-2-yloxy)propan-2-ol

C7H15N3O3 — CID 106991332

IUPAC1-azido-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CN=[N+]=[N-]
InChIInChI=1S/C7H15N3O3/c1-6(4-12-2)13-5-7(11)3-9-10-8/h6-7,11H,3-5H2,1-2H3
InChIKeyLQMPDVJWVZQXJK-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.71
Rot. Bonds7

About 1-azido-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-azido-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106991332) has the molecular formula C7H15N3O3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-azido-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-azido-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106991332
Molecular FormulaC7H15N3O3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name1-azido-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CN=[N+]=[N-]
InChIInChI=1S/C7H15N3O3/c1-6(4-12-2)13-5-7(11)3-9-10-8/h6-7,11H,3-5H2,1-2H3
InChIKeyLQMPDVJWVZQXJK-UHFFFAOYSA-N
XLogP0.71
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.71
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
1-azido-3-[2-(3-azido-2-hydroxypropoxy)ethoxy]propan-2-ol;methane
CID 161343566
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]butan-2-ol
CID 20834285
(2S)-1-azido-4-methylpentan-2-ol
CID 99983319
1-azido-3-methylpentan-2-ol
CID 116691796
1-azido-3-(4-methoxyphenoxy)propan-2-ol
CID 71340918
1-(1-methoxypropan-2-yloxy)-7-methyloctane-2,5-diol
CID 106992842
1-(2-amino-2-methylpropoxy)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991230
1-[1-(1-methoxypropan-2-yloxy)butan-2-yloxy]butan-2-ol
CID 169296791
1-[ethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991712
1-[bis(2-methoxyethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991830
1-(2-methoxyethylsulfanyl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992328

Frequently Asked Questions

What is the IUPAC name of 1-azido-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-azido-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106991332) is 1-azido-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-azido-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-azido-3-(1-methoxypropan-2-yloxy)propan-2-ol is COCC(C)OCC(O)CN=[N+]=[N-].
What is the InChIKey of 1-azido-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is LQMPDVJWVZQXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3/c1-6(4-12-2)13-5-7(11)3-9-10-8/h6-7,11H,3-5H2,1-2H3.
What are the key properties of 1-azido-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-azido-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 189.21 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106991332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).