[1-oxo-1-[2-[2-oxo-2-(2-oxopropoxy)ethoxy]carbonyloxyethoxy]propan-2-yl] 2-methoxypropanoate

C15H22O11 — CID 176759680

IUPAC[1-oxo-1-[2-[2-oxo-2-(2-oxopropoxy)ethoxy]carbonyloxyethoxy]propan-2-yl] 2-methoxypropanoate
SMILESCOC(C)C(=O)OC(C)C(=O)OCCOC(=O)OCC(=O)OCC(C)=O
InChIInChI=1S/C15H22O11/c1-9(16)7-24-12(17)8-25-15(20)23-6-5-22-13(18)11(3)26-14(19)10(2)21-4/h10-11H,5-8H2,1-4H3
InChIKeyPHVPZHXVENWUBR-UHFFFAOYSA-N
MW378.33 g/mol
LogP-0.22
Rot. Bonds11

About [1-oxo-1-[2-[2-oxo-2-(2-oxopropoxy)ethoxy]carbonyloxyethoxy]propan-2-yl] 2-methoxypropanoate

[1-oxo-1-[2-[2-oxo-2-(2-oxopropoxy)ethoxy]carbonyloxyethoxy]propan-2-yl] 2-methoxypropanoate (PubChem CID 176759680) has the molecular formula C15H22O11 and a molecular weight of 378.33 g/mol. Its IUPAC name is [1-oxo-1-[2-[2-oxo-2-(2-oxopropoxy)ethoxy]carbonyloxyethoxy]propan-2-yl] 2-methoxypropanoate.

Molecular Properties

Compound Name[1-oxo-1-[2-[2-oxo-2-(2-oxopropoxy)ethoxy]carbonyloxyethoxy]propan-2-yl] 2-methoxypropanoate
PubChem CID176759680
Molecular FormulaC15H22O11
Molecular Weight378.33 g/mol
Exact Mass378.12
IUPAC Name[1-oxo-1-[2-[2-oxo-2-(2-oxopropoxy)ethoxy]carbonyloxyethoxy]propan-2-yl] 2-methoxypropanoate
SMILESCOC(C)C(=O)OC(C)C(=O)OCCOC(=O)OCC(=O)OCC(C)=O
InChIInChI=1S/C15H22O11/c1-9(16)7-24-12(17)8-25-15(20)23-6-5-22-13(18)11(3)26-14(19)10(2)21-4/h10-11H,5-8H2,1-4H3
InChIKeyPHVPZHXVENWUBR-UHFFFAOYSA-N
XLogP-0.22
TPSA140.73 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.33
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

2-methoxycarbonyloxyethyl 2-(2-methoxycarbonyloxypropanoyloxy)propanoate
CID 20768535
[1-[2-[2-[2-(acetamidomethylcarbamoyloxy)propanoyloxy]propanoyloxy]ethoxy]-1-oxopropan-2-yl] 2-methoxypropanoate
CID 59464762
[2-[[2-(2-acetyloxypropanoyloxy)acetyl]oxymethoxy]-2-oxoethyl] 2-methoxypropanoate;methane
CID 158497271
[(2S)-3-oxobutan-2-yl] (2R)-2-methoxypropanoate;[(2R)-3-oxobutan-2-yl] (2S)-2-methoxypropanoate
CID 159152488
2-methoxyethyl 2-(2-methoxyacetyl)oxypropanoate
CID 159353149
2-[2-[2-(2-methoxypropanoyloxy)propanoyloxy]propanoyloxy]propanoic acid
CID 89492748
propan-2-yl 2-methoxycarbonyloxyacetate
CID 139642714
[(2R)-1-[2-[(2S)-2-[(2S)-2-[ethyl(hexoxy)phosphoryl]oxypropanoyl]oxypropanoyl]oxyethoxy]-1-oxopropan-2-yl] (2R)-2-methoxypropanoate
CID 59919176
2-oxopropyl 2-[3-[(2-methylpropan-2-yl)oxy]propanoyloxy]propanoate
CID 158022091
[1-[methyl(2-oxopropyl)amino]-1-oxopropan-2-yl] 2-methoxypropanoate
CID 157304502
[1-[2-[2-[2-[hexoxy(methyl)phosphoryl]oxypropanoyloxy]propanoyloxy]ethoxy]-1-oxopropan-2-yl] 2-methoxypropanoate
CID 59974482
(2S)-2-[(2S)-2-[(2S)-2-[3-[(2S)-2-acetyloxypropanoyl]oxypropanoyloxy]propanoyl]oxypropanoyl]oxypropanoic acid
CID 135353579

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-[2-[2-oxo-2-(2-oxopropoxy)ethoxy]carbonyloxyethoxy]propan-2-yl] 2-methoxypropanoate?
The IUPAC name of [1-oxo-1-[2-[2-oxo-2-(2-oxopropoxy)ethoxy]carbonyloxyethoxy]propan-2-yl] 2-methoxypropanoate (CID 176759680) is [1-oxo-1-[2-[2-oxo-2-(2-oxopropoxy)ethoxy]carbonyloxyethoxy]propan-2-yl] 2-methoxypropanoate.
What is the SMILES notation for [1-oxo-1-[2-[2-oxo-2-(2-oxopropoxy)ethoxy]carbonyloxyethoxy]propan-2-yl] 2-methoxypropanoate?
The canonical SMILES for [1-oxo-1-[2-[2-oxo-2-(2-oxopropoxy)ethoxy]carbonyloxyethoxy]propan-2-yl] 2-methoxypropanoate is COC(C)C(=O)OC(C)C(=O)OCCOC(=O)OCC(=O)OCC(C)=O.
What is the InChIKey of [1-oxo-1-[2-[2-oxo-2-(2-oxopropoxy)ethoxy]carbonyloxyethoxy]propan-2-yl] 2-methoxypropanoate?
The InChIKey is PHVPZHXVENWUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O11/c1-9(16)7-24-12(17)8-25-15(20)23-6-5-22-13(18)11(3)26-14(19)10(2)21-4/h10-11H,5-8H2,1-4H3.
What are the key properties of [1-oxo-1-[2-[2-oxo-2-(2-oxopropoxy)ethoxy]carbonyloxyethoxy]propan-2-yl] 2-methoxypropanoate?
[1-oxo-1-[2-[2-oxo-2-(2-oxopropoxy)ethoxy]carbonyloxyethoxy]propan-2-yl] 2-methoxypropanoate has a molecular weight of 378.33 g/mol, XLogP of -0.22, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-[2-[2-oxo-2-(2-oxopropoxy)ethoxy]carbonyloxyethoxy]propan-2-yl] 2-methoxypropanoate is sourced from PubChem (CID 176759680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).