tert-butyl 3-[2-[2-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

C19H39NO8 — CID 137334038

IUPACtert-butyl 3-[2-[2-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
SMILESCC(C)(C)OC(=O)CCOCCOCCOCCOCCN(CCO)CCO
InChIInChI=1S/C19H39NO8/c1-19(2,3)28-18(23)4-10-24-12-14-26-16-17-27-15-13-25-11-7-20(5-8-21)6-9-22/h21-22H,4-17H2,1-3H3
InChIKeyVDTQQUIUOZWNCT-UHFFFAOYSA-N
MW409.52 g/mol
LogP0.07
Rot. Bonds19

About tert-butyl 3-[2-[2-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

tert-butyl 3-[2-[2-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (PubChem CID 137334038) has the molecular formula C19H39NO8 and a molecular weight of 409.52 g/mol. Its IUPAC name is tert-butyl 3-[2-[2-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[2-[2-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
PubChem CID137334038
Molecular FormulaC19H39NO8
Molecular Weight409.52 g/mol
Exact Mass409.27
IUPAC Nametert-butyl 3-[2-[2-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
SMILESCC(C)(C)OC(=O)CCOCCOCCOCCOCCN(CCO)CCO
InChIInChI=1S/C19H39NO8/c1-19(2,3)28-18(23)4-10-24-12-14-26-16-17-27-15-13-25-11-7-20(5-8-21)6-9-22/h21-22H,4-17H2,1-3H3
InChIKeyVDTQQUIUOZWNCT-UHFFFAOYSA-N
XLogP0.07
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 18374585
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 162642491
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 170917699
tert-butyl 3-[2-[2-(dimethylamino)ethoxy]ethoxy]propanoate
CID 14833119
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
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-hydroxyethoxy)ethoxy]ethoxy]propanoate;3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoic acid
CID 160933856
tert-butyl 3-[2-[2-[benzyl-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]propanoate
CID 171748821
tert-butyl 3-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078415
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078361
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-(2-oxoethoxy)ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 165005484
tert-butyl 3-[2-[2-[3-[bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoate
CID 163296941

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[2-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The IUPAC name of tert-butyl 3-[2-[2-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (CID 137334038) is tert-butyl 3-[2-[2-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate.
What is the SMILES notation for tert-butyl 3-[2-[2-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The canonical SMILES for tert-butyl 3-[2-[2-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate is CC(C)(C)OC(=O)CCOCCOCCOCCOCCN(CCO)CCO.
What is the InChIKey of tert-butyl 3-[2-[2-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The InChIKey is VDTQQUIUOZWNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO8/c1-19(2,3)28-18(23)4-10-24-12-14-26-16-17-27-15-13-25-11-7-20(5-8-21)6-9-22/h21-22H,4-17H2,1-3H3.
What are the key properties of tert-butyl 3-[2-[2-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
tert-butyl 3-[2-[2-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate has a molecular weight of 409.52 g/mol, XLogP of 0.07, 19 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[2-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 137334038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).