tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-[2-(2-chloroethoxy)ethoxy]ethanol;2-[2-[2-(methylamino)ethoxy]ethoxy]ethanol

C35H73ClN2O16 — CID 160941269

About tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-[2-(2-chloroethoxy)ethoxy]ethanol;2-[2-[2-(methylamino)ethoxy]ethoxy]ethanol

tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-[2-(2-chloroethoxy)ethoxy]ethanol;2-[2-[2-(methylamino)ethoxy]ethoxy]ethanol (PubChem CID 160941269) has the molecular formula C35H73ClN2O16 and a molecular weight of 813.42 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-[2-(2-chloroethoxy)ethoxy]ethanol;2-[2-[2-(methylamino)ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-[2-(2-chloroethoxy)ethoxy]ethanol;2-[2-[2-(methylamino)ethoxy]ethoxy]ethanol
• PubChem CID: 160941269
• Molecular Formula: C35H73ClN2O16
• Molecular Weight: 813.42 g/mol
• Exact Mass: 812.46
• IUPAC Name: tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-[2-(2-chloroethoxy)ethoxy]ethanol;2-[2-[2-(methylamino)ethoxy]ethoxy]ethanol
• SMILES: CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CN(CCOCCOCCO)C(=O)OC(C)(C)C.CNCCOCCOCCO.OCCOCCOCCCl
• InChI: InChI=1S/C12H25NO5.C10H18O5.C7H17NO3.C6H13ClO3/c1-12(2,3)18-11(15)13(4)5-7-16-9-10-17-8-6-14;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-8-2-4-10-6-7-11-5-3-9;7-1-3-9-5-6-10-4-2-8/h14H,5-10H2,1-4H3;1-6H3;8-9H,2-7H2,1H3;8H,1-6H2
• InChIKey: SUNQCBVFYBNWGX-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 219.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 23
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	813.42
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-[2-(2-chloroethoxy)ethoxy]ethanol;2-[2-[2-(methylamino)ethoxy]ethoxy]ethanol?

The IUPAC name of tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-[2-(2-chloroethoxy)ethoxy]ethanol;2-[2-[2-(methylamino)ethoxy]ethoxy]ethanol (CID 160941269) is tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-[2-(2-chloroethoxy)ethoxy]ethanol;2-[2-[2-(methylamino)ethoxy]ethoxy]ethanol.

What is the SMILES notation for tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-[2-(2-chloroethoxy)ethoxy]ethanol;2-[2-[2-(methylamino)ethoxy]ethoxy]ethanol?

The canonical SMILES for tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-[2-(2-chloroethoxy)ethoxy]ethanol;2-[2-[2-(methylamino)ethoxy]ethoxy]ethanol is CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CN(CCOCCOCCO)C(=O)OC(C)(C)C.CNCCOCCOCCO.OCCOCCOCCCl.

What is the InChIKey of tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-[2-(2-chloroethoxy)ethoxy]ethanol;2-[2-[2-(methylamino)ethoxy]ethoxy]ethanol?

The InChIKey is SUNQCBVFYBNWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO5.C10H18O5.C7H17NO3.C6H13ClO3/c1-12(2,3)18-11(15)13(4)5-7-16-9-10-17-8-6-14;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-8-2-4-10-6-7-11-5-3-9;7-1-3-9-5-6-10-4-2-8/h14H,5-10H2,1-4H3;1-6H3;8-9H,2-7H2,1H3;8H,1-6H2.

What are the key properties of tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-[2-(2-chloroethoxy)ethoxy]ethanol;2-[2-[2-(methylamino)ethoxy]ethoxy]ethanol?

tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-[2-(2-chloroethoxy)ethoxy]ethanol;2-[2-[2-(methylamino)ethoxy]ethoxy]ethanol has a molecular weight of 813.42 g/mol, XLogP of 3.23, 23 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-[2-(2-chloroethoxy)ethoxy]ethanol;2-[2-[2-(methylamino)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 160941269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).