2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate

C23H42O13 — CID 118944076

IUPAC2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C1(C)COC(=O)OC1
InChIInChI=1S/C23H42O13/c1-23(19-35-22(25)36-20-23)21(24)34-18-17-33-16-15-32-14-13-31-12-11-30-10-9-29-8-7-28-6-5-27-4-3-26-2/h3-20H2,1-2H3
InChIKeySOXWHWWPVZIEJA-UHFFFAOYSA-N
MW526.58 g/mol
LogP0.47
Rot. Bonds25

About 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate

2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate (PubChem CID 118944076) has the molecular formula C23H42O13 and a molecular weight of 526.58 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
PubChem CID118944076
Molecular FormulaC23H42O13
Molecular Weight526.58 g/mol
Exact Mass526.26
IUPAC Name2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C1(C)COC(=O)OC1
InChIInChI=1S/C23H42O13/c1-23(19-35-22(25)36-20-23)21(24)34-18-17-33-16-15-32-14-13-31-12-11-30-10-9-29-8-7-28-6-5-27-4-3-26-2/h3-20H2,1-2H3
InChIKeySOXWHWWPVZIEJA-UHFFFAOYSA-N
XLogP0.47
TPSA135.67 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds25
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.58
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
CID 59608821
2-(2-ethoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
CID 175304446
2-aminoethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
CID 89434638
3-chloropropyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate;5-methyl-2-oxo-1,3-dioxane-5-carbonyl chloride;5-methyl-2-oxo-1,3-dioxane-5-carboxylic acid
CID 157169140
(4-tert-butylphenyl)methyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
CID 167311069
[4-(5-methyl-2-oxo-1,3-dioxane-5-carbonyl)oxycyclohexyl] 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
CID 102303855
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-methylpiperidine-3-carboxylate
CID 104563034
2-(3-methoxypropoxy)ethyl 4-methylpiperidine-4-carboxylate
CID 103178608
prop-2-en-1-ol;prop-2-enyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate;bis(1-tritiopropane)
CID 159790585
2-methoxyethanol;(2,3,4,5,6-pentafluorophenyl) 2-(hydroxymethyl)-3-(2-methoxyethoxycarbonyloxy)-2-methylpropanoate;(2,3,4,5,6-pentafluorophenyl) 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
CID 162034944
(2,3,5,6-tetrafluoro-4-propylphenyl) 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
CID 144589045
2-(2-methoxyethoxy)ethyl 4-(aminomethyl)oxane-4-carboxylate
CID 104563587

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate (CID 118944076) is 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate is COCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C1(C)COC(=O)OC1.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate?
The InChIKey is SOXWHWWPVZIEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O13/c1-23(19-35-22(25)36-20-23)21(24)34-18-17-33-16-15-32-14-13-31-12-11-30-10-9-29-8-7-28-6-5-27-4-3-26-2/h3-20H2,1-2H3.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate?
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate has a molecular weight of 526.58 g/mol, XLogP of 0.47, 25 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-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate is sourced from PubChem (CID 118944076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).