[2-oxo-2-(2-oxoethoxy)ethyl] 2-[2-(3-methylpentan-3-yloxy)propanoyloxy]propanoate

C16H25O8- — CID 123651319

IUPAC[2-oxo-2-(2-oxoethoxy)ethyl] 2-[2-(3-methylpentan-3-yloxy)propanoyloxy]propanoate
SMILESCCC(C)(CC)OC(C)C(=O)OC(C)C(=O)OCC(=O)OC[C-]=O
InChIInChI=1S/C16H25O8/c1-6-16(5,7-2)24-12(4)15(20)23-11(3)14(19)22-10-13(18)21-9-8-17/h11-12H,6-7,9-10H2,1-5H3/q-1
InChIKeyIUOLNFNCZJEWEE-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.10
Rot. Bonds11

About [2-oxo-2-(2-oxoethoxy)ethyl] 2-[2-(3-methylpentan-3-yloxy)propanoyloxy]propanoate

[2-oxo-2-(2-oxoethoxy)ethyl] 2-[2-(3-methylpentan-3-yloxy)propanoyloxy]propanoate (PubChem CID 123651319) has the molecular formula C16H25O8- and a molecular weight of 345.37 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoethoxy)ethyl] 2-[2-(3-methylpentan-3-yloxy)propanoyloxy]propanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoethoxy)ethyl] 2-[2-(3-methylpentan-3-yloxy)propanoyloxy]propanoate
PubChem CID123651319
Molecular FormulaC16H25O8-
Molecular Weight345.37 g/mol
Exact Mass345.16
IUPAC Name[2-oxo-2-(2-oxoethoxy)ethyl] 2-[2-(3-methylpentan-3-yloxy)propanoyloxy]propanoate
SMILESCCC(C)(CC)OC(C)C(=O)OC(C)C(=O)OCC(=O)OC[C-]=O
InChIInChI=1S/C16H25O8/c1-6-16(5,7-2)24-12(4)15(20)23-11(3)14(19)22-10-13(18)21-9-8-17/h11-12H,6-7,9-10H2,1-5H3/q-1
InChIKeyIUOLNFNCZJEWEE-UHFFFAOYSA-N
XLogP1.10
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [2-oxo-2-(2-oxoethoxy)ethyl] 2-[2-(3-methylpentan-3-yloxy)propanoyloxy]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-4-methyl-2-(3-methylpentan-3-yloxy)hexan-3-one
CID 89030369
[2-oxo-2-(3-oxobutan-2-yloxy)ethyl] 2-[(2-methylpropan-2-yl)oxy]propanoate
CID 158535072
[2-(ethoxymethoxy)-2-oxoethyl] 2-(2-oxopropanoyloxy)propanoate
CID 161302430
[2-[[2-(2-acetyloxypropanoyloxy)acetyl]oxymethoxy]-2-oxoethyl] 2-methoxypropanoate;methane
CID 158497271
[1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate
CID 85434603
acetylene;(2-oxo-2-phenylmethoxyethyl) 2-[(2-methylpropan-2-yl)oxy]propanoate
CID 143799381
ethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]propanoyloxy]propanoate
CID 10177567
[1-oxo-1-[2-[2-oxo-2-(2-oxopropoxy)ethoxy]carbonyloxyethoxy]propan-2-yl] 2-methoxypropanoate
CID 176759680
5-O-[1-[2-(2-hydroxyethoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 1-O-(2-hydroxyethyl) pentanedioate
CID 58807583
4-ethyl-2-(3-methylhexan-3-yloxy)hexan-3-one
CID 166943208
[8-[2-[2-[(2-methylpropan-2-yl)oxy]propanoyloxy]propanoyloxy]-3-oxooctan-2-yl] 2,3,3-trimethylbutanoate
CID 59391816
5-ethyl-5-methyl-2-(3-methylpentan-3-yloxy)heptan-4-one
CID 89154146

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoethoxy)ethyl] 2-[2-(3-methylpentan-3-yloxy)propanoyloxy]propanoate?
The IUPAC name of [2-oxo-2-(2-oxoethoxy)ethyl] 2-[2-(3-methylpentan-3-yloxy)propanoyloxy]propanoate (CID 123651319) is [2-oxo-2-(2-oxoethoxy)ethyl] 2-[2-(3-methylpentan-3-yloxy)propanoyloxy]propanoate.
What is the SMILES notation for [2-oxo-2-(2-oxoethoxy)ethyl] 2-[2-(3-methylpentan-3-yloxy)propanoyloxy]propanoate?
The canonical SMILES for [2-oxo-2-(2-oxoethoxy)ethyl] 2-[2-(3-methylpentan-3-yloxy)propanoyloxy]propanoate is CCC(C)(CC)OC(C)C(=O)OC(C)C(=O)OCC(=O)OC[C-]=O.
What is the InChIKey of [2-oxo-2-(2-oxoethoxy)ethyl] 2-[2-(3-methylpentan-3-yloxy)propanoyloxy]propanoate?
The InChIKey is IUOLNFNCZJEWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25O8/c1-6-16(5,7-2)24-12(4)15(20)23-11(3)14(19)22-10-13(18)21-9-8-17/h11-12H,6-7,9-10H2,1-5H3/q-1.
What are the key properties of [2-oxo-2-(2-oxoethoxy)ethyl] 2-[2-(3-methylpentan-3-yloxy)propanoyloxy]propanoate?
[2-oxo-2-(2-oxoethoxy)ethyl] 2-[2-(3-methylpentan-3-yloxy)propanoyloxy]propanoate has a molecular weight of 345.37 g/mol, XLogP of 1.10, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoethoxy)ethyl] 2-[2-(3-methylpentan-3-yloxy)propanoyloxy]propanoate is sourced from PubChem (CID 123651319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).