3,6-dimethyl-1,4-dioxane-2,5-dione;2-methoxyethanol;2-methoxyethyl 2-hydroxypropanoate

C15H28O10 — CID 161085919

IUPAC3,6-dimethyl-1,4-dioxane-2,5-dione;2-methoxyethanol;2-methoxyethyl 2-hydroxypropanoate
SMILESCC1OC(=O)C(C)OC1=O.COCCO.COCCOC(=O)C(C)O
InChIInChI=1S/C6H8O4.C6H12O4.C3H8O2/c1-3-5(7)10-4(2)6(8)9-3;1-5(7)6(8)10-4-3-9-2;1-5-3-2-4/h3-4H,1-2H3;5,7H,3-4H2,1-2H3;4H,2-3H2,1H3
InChIKeyUGMVFKHKXQMJAI-UHFFFAOYSA-N
MW368.38 g/mol
LogP-0.95
Rot. Bonds6

About 3,6-dimethyl-1,4-dioxane-2,5-dione;2-methoxyethanol;2-methoxyethyl 2-hydroxypropanoate

3,6-dimethyl-1,4-dioxane-2,5-dione;2-methoxyethanol;2-methoxyethyl 2-hydroxypropanoate (PubChem CID 161085919) has the molecular formula C15H28O10 and a molecular weight of 368.38 g/mol. Its IUPAC name is 3,6-dimethyl-1,4-dioxane-2,5-dione;2-methoxyethanol;2-methoxyethyl 2-hydroxypropanoate.

Molecular Properties

Compound Name3,6-dimethyl-1,4-dioxane-2,5-dione;2-methoxyethanol;2-methoxyethyl 2-hydroxypropanoate
PubChem CID161085919
Molecular FormulaC15H28O10
Molecular Weight368.38 g/mol
Exact Mass368.17
IUPAC Name3,6-dimethyl-1,4-dioxane-2,5-dione;2-methoxyethanol;2-methoxyethyl 2-hydroxypropanoate
SMILESCC1OC(=O)C(C)OC1=O.COCCO.COCCOC(=O)C(C)O
InChIInChI=1S/C6H8O4.C6H12O4.C3H8O2/c1-3-5(7)10-4(2)6(8)9-3;1-5(7)6(8)10-4-3-9-2;1-5-3-2-4/h3-4H,1-2H3;5,7H,3-4H2,1-2H3;4H,2-3H2,1H3
InChIKeyUGMVFKHKXQMJAI-UHFFFAOYSA-N
XLogP-0.95
TPSA137.82 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

3,6-dimethyl-1,4-dioxane-2,5-dione;2-hydroxypropanoic acid;bis(2-(2-methoxyethoxy)ethanol);4-[1-[2-(2-methoxyethoxy)ethoxy]-1-oxopropan-2-yl]oxy-4-oxobutanoic acid;2-(2-methoxyethoxy)ethyl 2-hydroxypropanoate;oxolane-2,5-dione
CID 159702016
2-hydroxyethyl (2R)-2-hydroxypropanoate
CID 14273570
3,6-dimethyl-1,4-dioxane-2,5-dione;methane;3-oxobutan-2-yl 2-hydroxypropanoate;3-oxopentan-2-yl 2-hydroxypropanoate
CID 163618051
lanthanum;2-methoxyethanol;propan-2-ol
CID 161158701
3,6-dimethyl-1,4-dioxane-2,5-dione
CID 7272
3,6-dimethyl-1,4-dioxane-2,5-dione;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione
CID 156591924
3,6-dimethyl-1,4-dioxane-2,5-dione;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;(3R,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;(3R,6R)-3,6-dimethyl-1,4-dioxane-2,5-dione
CID 163835572
1,2-dimethoxyethane;ethane-1,2-diol;tris(2-methoxyethanol)
CID 160893759
2-hydroxypropanoic acid;2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 86606251
3,6-dimethyl-1,4-dioxane-2,5-dione;1-(1-hydroxypentan-3-yl)pyrrolidin-2-one;methane;[1-oxo-1-[3-(2-oxopyrrolidin-1-yl)pentoxy]propan-2-yl] 2-hydroxypropanoate;phosphanylphosphinous acid;vanadium
CID 165074520
2-methoxyethyl 2-amino-3-hydroxybutanoate
CID 61279925
3,6-dimethyl-1,4-dioxane-2,5-dione;1,4-dioxane-2,5-dione;2-oxopropyl 2-methoxypropanoate
CID 157432125

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1,4-dioxane-2,5-dione;2-methoxyethanol;2-methoxyethyl 2-hydroxypropanoate?
The IUPAC name of 3,6-dimethyl-1,4-dioxane-2,5-dione;2-methoxyethanol;2-methoxyethyl 2-hydroxypropanoate (CID 161085919) is 3,6-dimethyl-1,4-dioxane-2,5-dione;2-methoxyethanol;2-methoxyethyl 2-hydroxypropanoate.
What is the SMILES notation for 3,6-dimethyl-1,4-dioxane-2,5-dione;2-methoxyethanol;2-methoxyethyl 2-hydroxypropanoate?
The canonical SMILES for 3,6-dimethyl-1,4-dioxane-2,5-dione;2-methoxyethanol;2-methoxyethyl 2-hydroxypropanoate is CC1OC(=O)C(C)OC1=O.COCCO.COCCOC(=O)C(C)O.
What is the InChIKey of 3,6-dimethyl-1,4-dioxane-2,5-dione;2-methoxyethanol;2-methoxyethyl 2-hydroxypropanoate?
The InChIKey is UGMVFKHKXQMJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4.C6H12O4.C3H8O2/c1-3-5(7)10-4(2)6(8)9-3;1-5(7)6(8)10-4-3-9-2;1-5-3-2-4/h3-4H,1-2H3;5,7H,3-4H2,1-2H3;4H,2-3H2,1H3.
What are the key properties of 3,6-dimethyl-1,4-dioxane-2,5-dione;2-methoxyethanol;2-methoxyethyl 2-hydroxypropanoate?
3,6-dimethyl-1,4-dioxane-2,5-dione;2-methoxyethanol;2-methoxyethyl 2-hydroxypropanoate has a molecular weight of 368.38 g/mol, XLogP of -0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1,4-dioxane-2,5-dione;2-methoxyethanol;2-methoxyethyl 2-hydroxypropanoate is sourced from PubChem (CID 161085919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).