[5-(2-azidoethoxy)oxolan-2-yl]methanol

C7H13N3O3 — CID 72700381

IUPAC[5-(2-azidoethoxy)oxolan-2-yl]methanol
SMILES[N-]=[N+]=NCCOC1CCC(CO)O1
InChIInChI=1S/C7H13N3O3/c8-10-9-3-4-12-7-2-1-6(5-11)13-7/h6-7,11H,1-5H2
InChIKeyPEAZLIVNZBRAGQ-UHFFFAOYSA-N
MW187.20 g/mol
LogP0.81
Rot. Bonds5

About [5-(2-azidoethoxy)oxolan-2-yl]methanol

[5-(2-azidoethoxy)oxolan-2-yl]methanol (PubChem CID 72700381) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is [5-(2-azidoethoxy)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-(2-azidoethoxy)oxolan-2-yl]methanol
PubChem CID72700381
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name[5-(2-azidoethoxy)oxolan-2-yl]methanol
SMILES[N-]=[N+]=NCCOC1CCC(CO)O1
InChIInChI=1S/C7H13N3O3/c8-10-9-3-4-12-7-2-1-6(5-11)13-7/h6-7,11H,1-5H2
InChIKeyPEAZLIVNZBRAGQ-UHFFFAOYSA-N
XLogP0.81
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of [5-(2-azidoethoxy)oxolan-2-yl]methanol?
The IUPAC name of [5-(2-azidoethoxy)oxolan-2-yl]methanol (CID 72700381) is [5-(2-azidoethoxy)oxolan-2-yl]methanol.
What is the SMILES notation for [5-(2-azidoethoxy)oxolan-2-yl]methanol?
The canonical SMILES for [5-(2-azidoethoxy)oxolan-2-yl]methanol is [N-]=[N+]=NCCOC1CCC(CO)O1.
What is the InChIKey of [5-(2-azidoethoxy)oxolan-2-yl]methanol?
The InChIKey is PEAZLIVNZBRAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3/c8-10-9-3-4-12-7-2-1-6(5-11)13-7/h6-7,11H,1-5H2.
What are the key properties of [5-(2-azidoethoxy)oxolan-2-yl]methanol?
[5-(2-azidoethoxy)oxolan-2-yl]methanol has a molecular weight of 187.20 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-azidoethoxy)oxolan-2-yl]methanol is sourced from PubChem (CID 72700381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).