tert-butyl 2-[2-[2-[2-(6-azidohexoxy)ethoxy]ethoxy]ethoxy]acetate

C18H35N3O6 — CID 135390378

IUPACtert-butyl 2-[2-[2-[2-(6-azidohexoxy)ethoxy]ethoxy]ethoxy]acetate
SMILESCC(C)(C)OC(=O)COCCOCCOCCOCCCCCCN=[N+]=[N-]
InChIInChI=1S/C18H35N3O6/c1-18(2,3)27-17(22)16-26-15-14-25-13-12-24-11-10-23-9-7-5-4-6-8-20-21-19/h4-16H2,1-3H3
InChIKeySJXWBMRBUGJIOY-UHFFFAOYSA-N
MW389.49 g/mol
LogP3.27
Rot. Bonds18

About tert-butyl 2-[2-[2-[2-(6-azidohexoxy)ethoxy]ethoxy]ethoxy]acetate

tert-butyl 2-[2-[2-[2-(6-azidohexoxy)ethoxy]ethoxy]ethoxy]acetate (PubChem CID 135390378) has the molecular formula C18H35N3O6 and a molecular weight of 389.49 g/mol. Its IUPAC name is tert-butyl 2-[2-[2-[2-(6-azidohexoxy)ethoxy]ethoxy]ethoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-[2-[2-(6-azidohexoxy)ethoxy]ethoxy]ethoxy]acetate
PubChem CID135390378
Molecular FormulaC18H35N3O6
Molecular Weight389.49 g/mol
Exact Mass389.25
IUPAC Nametert-butyl 2-[2-[2-[2-(6-azidohexoxy)ethoxy]ethoxy]ethoxy]acetate
SMILESCC(C)(C)OC(=O)COCCOCCOCCOCCCCCCN=[N+]=[N-]
InChIInChI=1S/C18H35N3O6/c1-18(2,3)27-17(22)16-26-15-14-25-13-12-24-11-10-23-9-7-5-4-6-8-20-21-19/h4-16H2,1-3H3
InChIKeySJXWBMRBUGJIOY-UHFFFAOYSA-N
XLogP3.27
TPSA111.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}

Analyze tert-butyl 2-[2-[2-[2-(6-azidohexoxy)ethoxy]ethoxy]ethoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 170910731
tert-butyl 2-(3-hexoxypropoxy)acetate
CID 122428498
tert-butyl 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 155606966
tert-butyl 3-[2-[2-[2-[bis[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]propanoate
CID 131709282
tert-butyl 3-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]propanoate
CID 123132133
2-(6-azidohexoxymethyl)-2-methylpropane-1,3-diol
CID 102452687
tert-butyl 2-[5-(2-hydroxyethoxy)pentoxy]acetate;tert-butyl 2-(5-propoxypentoxy)acetate
CID 160990095
tert-butyl 2-[3-(6-methylheptoxy)propoxy]acetate
CID 167404760
2-[4-(4-azidobutoxy)butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 168833005
tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 129012181
1-azido-12-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecane
CID 171471401
tert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
CID 126480423

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[2-[2-(6-azidohexoxy)ethoxy]ethoxy]ethoxy]acetate?
The IUPAC name of tert-butyl 2-[2-[2-[2-(6-azidohexoxy)ethoxy]ethoxy]ethoxy]acetate (CID 135390378) is tert-butyl 2-[2-[2-[2-(6-azidohexoxy)ethoxy]ethoxy]ethoxy]acetate.
What is the SMILES notation for tert-butyl 2-[2-[2-[2-(6-azidohexoxy)ethoxy]ethoxy]ethoxy]acetate?
The canonical SMILES for tert-butyl 2-[2-[2-[2-(6-azidohexoxy)ethoxy]ethoxy]ethoxy]acetate is CC(C)(C)OC(=O)COCCOCCOCCOCCCCCCN=[N+]=[N-].
What is the InChIKey of tert-butyl 2-[2-[2-[2-(6-azidohexoxy)ethoxy]ethoxy]ethoxy]acetate?
The InChIKey is SJXWBMRBUGJIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O6/c1-18(2,3)27-17(22)16-26-15-14-25-13-12-24-11-10-23-9-7-5-4-6-8-20-21-19/h4-16H2,1-3H3.
What are the key properties of tert-butyl 2-[2-[2-[2-(6-azidohexoxy)ethoxy]ethoxy]ethoxy]acetate?
tert-butyl 2-[2-[2-[2-(6-azidohexoxy)ethoxy]ethoxy]ethoxy]acetate has a molecular weight of 389.49 g/mol, XLogP of 3.27, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[2-[2-(6-azidohexoxy)ethoxy]ethoxy]ethoxy]acetate is sourced from PubChem (CID 135390378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).