[1-oxo-1-[2-oxo-2-[2-oxo-2-(1-propan-2-yloxypropan-2-yloxy)ethoxy]ethoxy]propan-2-yl] 2-hydroxypropanoate

C16H26O10 — CID 21044768

IUPAC[1-oxo-1-[2-oxo-2-[2-oxo-2-(1-propan-2-yloxypropan-2-yloxy)ethoxy]ethoxy]propan-2-yl] 2-hydroxypropanoate
SMILESCC(C)OCC(C)OC(=O)COC(=O)COC(=O)C(C)OC(=O)C(C)O
InChIInChI=1S/C16H26O10/c1-9(2)22-6-10(3)25-14(19)8-23-13(18)7-24-16(21)12(5)26-15(20)11(4)17/h9-12,17H,6-8H2,1-5H3
InChIKeyZADWROHZZKMUMS-UHFFFAOYSA-N
MW378.37 g/mol
LogP-0.26
Rot. Bonds11

About [1-oxo-1-[2-oxo-2-[2-oxo-2-(1-propan-2-yloxypropan-2-yloxy)ethoxy]ethoxy]propan-2-yl] 2-hydroxypropanoate

[1-oxo-1-[2-oxo-2-[2-oxo-2-(1-propan-2-yloxypropan-2-yloxy)ethoxy]ethoxy]propan-2-yl] 2-hydroxypropanoate (PubChem CID 21044768) has the molecular formula C16H26O10 and a molecular weight of 378.37 g/mol. Its IUPAC name is [1-oxo-1-[2-oxo-2-[2-oxo-2-(1-propan-2-yloxypropan-2-yloxy)ethoxy]ethoxy]propan-2-yl] 2-hydroxypropanoate.

Molecular Properties

Compound Name[1-oxo-1-[2-oxo-2-[2-oxo-2-(1-propan-2-yloxypropan-2-yloxy)ethoxy]ethoxy]propan-2-yl] 2-hydroxypropanoate
PubChem CID21044768
Molecular FormulaC16H26O10
Molecular Weight378.37 g/mol
Exact Mass378.15
IUPAC Name[1-oxo-1-[2-oxo-2-[2-oxo-2-(1-propan-2-yloxypropan-2-yloxy)ethoxy]ethoxy]propan-2-yl] 2-hydroxypropanoate
SMILESCC(C)OCC(C)OC(=O)COC(=O)COC(=O)C(C)OC(=O)C(C)O
InChIInChI=1S/C16H26O10/c1-9(2)22-6-10(3)25-14(19)8-23-13(18)7-24-16(21)12(5)26-15(20)11(4)17/h9-12,17H,6-8H2,1-5H3
InChIKeyZADWROHZZKMUMS-UHFFFAOYSA-N
XLogP-0.26
TPSA134.66 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-[2-oxo-2-[2-oxo-2-(1-propan-2-yloxypropan-2-yloxy)ethoxy]ethoxy]propan-2-yl] 2-hydroxypropanoate?
The IUPAC name of [1-oxo-1-[2-oxo-2-[2-oxo-2-(1-propan-2-yloxypropan-2-yloxy)ethoxy]ethoxy]propan-2-yl] 2-hydroxypropanoate (CID 21044768) is [1-oxo-1-[2-oxo-2-[2-oxo-2-(1-propan-2-yloxypropan-2-yloxy)ethoxy]ethoxy]propan-2-yl] 2-hydroxypropanoate.
What is the SMILES notation for [1-oxo-1-[2-oxo-2-[2-oxo-2-(1-propan-2-yloxypropan-2-yloxy)ethoxy]ethoxy]propan-2-yl] 2-hydroxypropanoate?
The canonical SMILES for [1-oxo-1-[2-oxo-2-[2-oxo-2-(1-propan-2-yloxypropan-2-yloxy)ethoxy]ethoxy]propan-2-yl] 2-hydroxypropanoate is CC(C)OCC(C)OC(=O)COC(=O)COC(=O)C(C)OC(=O)C(C)O.
What is the InChIKey of [1-oxo-1-[2-oxo-2-[2-oxo-2-(1-propan-2-yloxypropan-2-yloxy)ethoxy]ethoxy]propan-2-yl] 2-hydroxypropanoate?
The InChIKey is ZADWROHZZKMUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O10/c1-9(2)22-6-10(3)25-14(19)8-23-13(18)7-24-16(21)12(5)26-15(20)11(4)17/h9-12,17H,6-8H2,1-5H3.
What are the key properties of [1-oxo-1-[2-oxo-2-[2-oxo-2-(1-propan-2-yloxypropan-2-yloxy)ethoxy]ethoxy]propan-2-yl] 2-hydroxypropanoate?
[1-oxo-1-[2-oxo-2-[2-oxo-2-(1-propan-2-yloxypropan-2-yloxy)ethoxy]ethoxy]propan-2-yl] 2-hydroxypropanoate has a molecular weight of 378.37 g/mol, XLogP of -0.26, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-[2-oxo-2-[2-oxo-2-(1-propan-2-yloxypropan-2-yloxy)ethoxy]ethoxy]propan-2-yl] 2-hydroxypropanoate is sourced from PubChem (CID 21044768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).