[2-[2-[2-[2-(2-acetyloxy-2-oxoethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethyl] propanoate

C15H18O13 — CID 174477288

IUPAC[2-[2-[2-[2-(2-acetyloxy-2-oxoethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OC(C)=O
InChIInChI=1S/C15H18O13/c1-3-10(17)23-4-11(18)24-5-12(19)25-6-13(20)26-7-14(21)27-8-15(22)28-9(2)16/h3-8H2,1-2H3
InChIKeyYYLAZKOTRFSESX-UHFFFAOYSA-N
MW406.30 g/mol
LogP-1.80
Rot. Bonds11

About [2-[2-[2-[2-(2-acetyloxy-2-oxoethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethyl] propanoate

[2-[2-[2-[2-(2-acetyloxy-2-oxoethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethyl] propanoate (PubChem CID 174477288) has the molecular formula C15H18O13 and a molecular weight of 406.30 g/mol. Its IUPAC name is [2-[2-[2-[2-(2-acetyloxy-2-oxoethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethyl] propanoate.

Molecular Properties

Compound Name[2-[2-[2-[2-(2-acetyloxy-2-oxoethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethyl] propanoate
PubChem CID174477288
Molecular FormulaC15H18O13
Molecular Weight406.30 g/mol
Exact Mass406.07
IUPAC Name[2-[2-[2-[2-(2-acetyloxy-2-oxoethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OC(C)=O
InChIInChI=1S/C15H18O13/c1-3-10(17)23-4-11(18)24-5-12(19)25-6-13(20)26-7-14(21)27-8-15(22)28-9(2)16/h3-8H2,1-2H3
InChIKeyYYLAZKOTRFSESX-UHFFFAOYSA-N
XLogP-1.80
TPSA174.87 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.30
LogP ≤ 5-1.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

(2-acetyloxy-2-oxoethyl) propanoate
CID 57195909
(2-ethoxy-2-oxoethyl) propanoate
CID 13301802
sodium;hydride;(2-oxo-2-propanoyloxyethyl) propanoate
CID 175477931
acetyl propanoate;copper
CID 174868474
acetyl propanoate;cobalt
CID 88660334
acetyl 2-ethoxyacetate
CID 57009984
(2-fluoro-2-oxoethyl) propanoate
CID 172682810
silylmethyl propanoate
CID 152513576
acetyl 2-aminoacetate
CID 13153876
[(Z)-2-methyl-3-propanoyloxyprop-2-enyl] propanoate
CID 146216360
[2-(methylamino)-2-oxoethyl] propanoate
CID 131176227
2-ethylbut-2-enyl propanoate
CID 90757213

Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-[2-(2-acetyloxy-2-oxoethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethyl] propanoate?
The IUPAC name of [2-[2-[2-[2-(2-acetyloxy-2-oxoethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethyl] propanoate (CID 174477288) is [2-[2-[2-[2-(2-acetyloxy-2-oxoethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethyl] propanoate.
What is the SMILES notation for [2-[2-[2-[2-(2-acetyloxy-2-oxoethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethyl] propanoate?
The canonical SMILES for [2-[2-[2-[2-(2-acetyloxy-2-oxoethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethyl] propanoate is CCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OC(C)=O.
What is the InChIKey of [2-[2-[2-[2-(2-acetyloxy-2-oxoethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethyl] propanoate?
The InChIKey is YYLAZKOTRFSESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O13/c1-3-10(17)23-4-11(18)24-5-12(19)25-6-13(20)26-7-14(21)27-8-15(22)28-9(2)16/h3-8H2,1-2H3.
What are the key properties of [2-[2-[2-[2-(2-acetyloxy-2-oxoethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethyl] propanoate?
[2-[2-[2-[2-(2-acetyloxy-2-oxoethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethyl] propanoate has a molecular weight of 406.30 g/mol, XLogP of -1.80, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-[2-(2-acetyloxy-2-oxoethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethyl] propanoate is sourced from PubChem (CID 174477288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).