1-[1-(2-azidoethoxy)ethoxy]-2-ethoxyethanol

C8H17N3O4 — CID 141307430

IUPAC1-[1-(2-azidoethoxy)ethoxy]-2-ethoxyethanol
SMILESCCOCC(O)OC(C)OCCN=[N+]=[N-]
InChIInChI=1S/C8H17N3O4/c1-3-13-6-8(12)15-7(2)14-5-4-10-11-9/h7-8,12H,3-6H2,1-2H3
InChIKeyANBGSRNLNHVCSI-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.03
Rot. Bonds9

About 1-[1-(2-azidoethoxy)ethoxy]-2-ethoxyethanol

1-[1-(2-azidoethoxy)ethoxy]-2-ethoxyethanol (PubChem CID 141307430) has the molecular formula C8H17N3O4 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-[1-(2-azidoethoxy)ethoxy]-2-ethoxyethanol.

Molecular Properties

Compound Name1-[1-(2-azidoethoxy)ethoxy]-2-ethoxyethanol
PubChem CID141307430
Molecular FormulaC8H17N3O4
Molecular Weight219.24 g/mol
Exact Mass219.12
IUPAC Name1-[1-(2-azidoethoxy)ethoxy]-2-ethoxyethanol
SMILESCCOCC(O)OC(C)OCCN=[N+]=[N-]
InChIInChI=1S/C8H17N3O4/c1-3-13-6-8(12)15-7(2)14-5-4-10-11-9/h7-8,12H,3-6H2,1-2H3
InChIKeyANBGSRNLNHVCSI-UHFFFAOYSA-N
XLogP1.03
TPSA96.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(1-butoxyethoxy)-2-(2-ethoxyethoxy)ethanol
CID 139893690
2-ethoxy-1-(2-ethoxy-1-hydroxyethoxy)ethanol
CID 87485904
1-azido-2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 151612117
1,3-bis[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-2-methylpropane
CID 175936797
2-ethoxy-1-[2-(2-ethoxyethoxy)ethoxy]ethanol
CID 88518191
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 89142386
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796317
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 165429946
1-azido-2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796295
1-azido-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991332
1-ethoxypropan-2-ol;N-methylmethanamine
CID 88607316
1-[2-(2-azidoethoxy)ethoxy]-2,2-bis[2-(2-azidoethoxy)ethoxymethyl]-3-(2-propoxyethoxy)propane
CID 59660898

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-azidoethoxy)ethoxy]-2-ethoxyethanol?
The IUPAC name of 1-[1-(2-azidoethoxy)ethoxy]-2-ethoxyethanol (CID 141307430) is 1-[1-(2-azidoethoxy)ethoxy]-2-ethoxyethanol.
What is the SMILES notation for 1-[1-(2-azidoethoxy)ethoxy]-2-ethoxyethanol?
The canonical SMILES for 1-[1-(2-azidoethoxy)ethoxy]-2-ethoxyethanol is CCOCC(O)OC(C)OCCN=[N+]=[N-].
What is the InChIKey of 1-[1-(2-azidoethoxy)ethoxy]-2-ethoxyethanol?
The InChIKey is ANBGSRNLNHVCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O4/c1-3-13-6-8(12)15-7(2)14-5-4-10-11-9/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 1-[1-(2-azidoethoxy)ethoxy]-2-ethoxyethanol?
1-[1-(2-azidoethoxy)ethoxy]-2-ethoxyethanol has a molecular weight of 219.24 g/mol, XLogP of 1.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-azidoethoxy)ethoxy]-2-ethoxyethanol is sourced from PubChem (CID 141307430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).