tert-butyl 3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl prop-2-enoate;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol

C36H72O17 — CID 158563405

IUPACtert-butyl 3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl prop-2-enoate;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESC=CC(=O)OC(C)(C)C.CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCO.OCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C17H34O8.C12H26O7.C7H12O2/c1-17(2,3)25-16(19)4-6-20-8-10-22-12-14-24-15-13-23-11-9-21-7-5-18;13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14;1-5-6(8)9-7(2,3)4/h18H,4-15H2,1-3H3;13-14H,1-12H2;5H,1H2,2-4H3
InChIKeyHREBDVDBAKUIDI-UHFFFAOYSA-N
MW776.95 g/mol
LogP1.36
Rot. Bonds34

About tert-butyl 3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl prop-2-enoate;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol

tert-butyl 3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl prop-2-enoate;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 158563405) has the molecular formula C36H72O17 and a molecular weight of 776.95 g/mol. Its IUPAC name is tert-butyl 3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl prop-2-enoate;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Nametert-butyl 3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl prop-2-enoate;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID158563405
Molecular FormulaC36H72O17
Molecular Weight776.95 g/mol
Exact Mass776.48
IUPAC Nametert-butyl 3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl prop-2-enoate;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESC=CC(=O)OC(C)(C)C.CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCO.OCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C17H34O8.C12H26O7.C7H12O2/c1-17(2,3)25-16(19)4-6-20-8-10-22-12-14-24-15-13-23-11-9-21-7-5-18;13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14;1-5-6(8)9-7(2,3)4/h18H,4-15H2,1-3H3;13-14H,1-12H2;5H,1H2,2-4H3
InChIKeyHREBDVDBAKUIDI-UHFFFAOYSA-N
XLogP1.36
TPSA205.59 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds34
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.95
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl prop-2-enoate;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of tert-butyl 3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl prop-2-enoate;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 158563405) is tert-butyl 3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl prop-2-enoate;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for tert-butyl 3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl prop-2-enoate;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for tert-butyl 3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl prop-2-enoate;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol is C=CC(=O)OC(C)(C)C.CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCO.OCCOCCOCCOCCOCCOCCO.
What is the InChIKey of tert-butyl 3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl prop-2-enoate;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is HREBDVDBAKUIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O8.C12H26O7.C7H12O2/c1-17(2,3)25-16(19)4-6-20-8-10-22-12-14-24-15-13-23-11-9-21-7-5-18;13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14;1-5-6(8)9-7(2,3)4/h18H,4-15H2,1-3H3;13-14H,1-12H2;5H,1H2,2-4H3.
What are the key properties of tert-butyl 3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl prop-2-enoate;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
tert-butyl 3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl prop-2-enoate;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 776.95 g/mol, XLogP of 1.36, 34 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl prop-2-enoate;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 158563405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).