1,3-dioxolane;1-(2-methoxyethoxy)propan-2-one;1,3,5-trioxane

C12H24O8 — CID 159826539

IUPAC1,3-dioxolane;1-(2-methoxyethoxy)propan-2-one;1,3,5-trioxane
SMILESC1COCO1.C1OCOCO1.COCCOCC(C)=O
InChIInChI=1S/C6H12O3.C3H6O3.C3H6O2/c1-6(7)5-9-4-3-8-2;1-4-2-6-3-5-1;1-2-5-3-4-1/h3-5H2,1-2H3;1-3H2;1-3H2
InChIKeyNMXGYUNTJWKDAE-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.15
Rot. Bonds5

About 1,3-dioxolane;1-(2-methoxyethoxy)propan-2-one;1,3,5-trioxane

1,3-dioxolane;1-(2-methoxyethoxy)propan-2-one;1,3,5-trioxane (PubChem CID 159826539) has the molecular formula C12H24O8 and a molecular weight of 296.32 g/mol. Its IUPAC name is 1,3-dioxolane;1-(2-methoxyethoxy)propan-2-one;1,3,5-trioxane.

Molecular Properties

Compound Name1,3-dioxolane;1-(2-methoxyethoxy)propan-2-one;1,3,5-trioxane
PubChem CID159826539
Molecular FormulaC12H24O8
Molecular Weight296.32 g/mol
Exact Mass296.15
IUPAC Name1,3-dioxolane;1-(2-methoxyethoxy)propan-2-one;1,3,5-trioxane
SMILESC1COCO1.C1OCOCO1.COCCOCC(C)=O
InChIInChI=1S/C6H12O3.C3H6O3.C3H6O2/c1-6(7)5-9-4-3-8-2;1-4-2-6-3-5-1;1-2-5-3-4-1/h3-5H2,1-2H3;1-3H2;1-3H2
InChIKeyNMXGYUNTJWKDAE-UHFFFAOYSA-N
XLogP0.15
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 175805082
1,2-dimethoxyethane;1,4,7,10,13,16-hexaoxacyclooctadecane
CID 87702464
1-(2-methoxyethoxy)-5-[2-(2-oxopropoxy)ethoxy]pentan-2-one
CID 58143519
1,3-bis(2-methoxyethoxy)propan-2-one
CID 14893271
4-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]butan-2-one
CID 59109167
1-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 158591321
butan-2-one;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 161208459
1-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 142541911
2-(2-methoxyethoxy)-N-morpholin-4-ylacetamide
CID 103606655
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-one
CID 71329199
4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 153276611
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 15118673

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolane;1-(2-methoxyethoxy)propan-2-one;1,3,5-trioxane?
The IUPAC name of 1,3-dioxolane;1-(2-methoxyethoxy)propan-2-one;1,3,5-trioxane (CID 159826539) is 1,3-dioxolane;1-(2-methoxyethoxy)propan-2-one;1,3,5-trioxane.
What is the SMILES notation for 1,3-dioxolane;1-(2-methoxyethoxy)propan-2-one;1,3,5-trioxane?
The canonical SMILES for 1,3-dioxolane;1-(2-methoxyethoxy)propan-2-one;1,3,5-trioxane is C1COCO1.C1OCOCO1.COCCOCC(C)=O.
What is the InChIKey of 1,3-dioxolane;1-(2-methoxyethoxy)propan-2-one;1,3,5-trioxane?
The InChIKey is NMXGYUNTJWKDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.C3H6O3.C3H6O2/c1-6(7)5-9-4-3-8-2;1-4-2-6-3-5-1;1-2-5-3-4-1/h3-5H2,1-2H3;1-3H2;1-3H2.
What are the key properties of 1,3-dioxolane;1-(2-methoxyethoxy)propan-2-one;1,3,5-trioxane?
1,3-dioxolane;1-(2-methoxyethoxy)propan-2-one;1,3,5-trioxane has a molecular weight of 296.32 g/mol, XLogP of 0.15, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolane;1-(2-methoxyethoxy)propan-2-one;1,3,5-trioxane is sourced from PubChem (CID 159826539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).