2-acetyloxypropyl acetate;ethane-1,2-diol;ethoxyethane;methoxymethane

C15H34O8 — CID 173118871

IUPAC2-acetyloxypropyl acetate;ethane-1,2-diol;ethoxyethane;methoxymethane
SMILESCC(=O)OCC(C)OC(C)=O.CCOCC.COC.OCCO
InChIInChI=1S/C7H12O4.C4H10O.C2H6O2.C2H6O/c1-5(11-7(3)9)4-10-6(2)8;1-3-5-4-2;3-1-2-4;1-3-2/h5H,4H2,1-3H3;3-4H2,1-2H3;3-4H,1-2H2;1-2H3
InChIKeyYCYWVUYRJBRKHH-UHFFFAOYSA-N
MW342.43 g/mol
LogP0.78
Rot. Bonds6

About 2-acetyloxypropyl acetate;ethane-1,2-diol;ethoxyethane;methoxymethane

2-acetyloxypropyl acetate;ethane-1,2-diol;ethoxyethane;methoxymethane (PubChem CID 173118871) has the molecular formula C15H34O8 and a molecular weight of 342.43 g/mol. Its IUPAC name is 2-acetyloxypropyl acetate;ethane-1,2-diol;ethoxyethane;methoxymethane.

Molecular Properties

Compound Name2-acetyloxypropyl acetate;ethane-1,2-diol;ethoxyethane;methoxymethane
PubChem CID173118871
Molecular FormulaC15H34O8
Molecular Weight342.43 g/mol
Exact Mass342.23
IUPAC Name2-acetyloxypropyl acetate;ethane-1,2-diol;ethoxyethane;methoxymethane
SMILESCC(=O)OCC(C)OC(C)=O.CCOCC.COC.OCCO
InChIInChI=1S/C7H12O4.C4H10O.C2H6O2.C2H6O/c1-5(11-7(3)9)4-10-6(2)8;1-3-5-4-2;3-1-2-4;1-3-2/h5H,4H2,1-3H3;3-4H2,1-2H3;3-4H,1-2H2;1-2H3
InChIKeyYCYWVUYRJBRKHH-UHFFFAOYSA-N
XLogP0.78
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-acetyloxypropyl acetate;ethane-1,2-diol;ethoxyethane;methoxymethane?
The IUPAC name of 2-acetyloxypropyl acetate;ethane-1,2-diol;ethoxyethane;methoxymethane (CID 173118871) is 2-acetyloxypropyl acetate;ethane-1,2-diol;ethoxyethane;methoxymethane.
What is the SMILES notation for 2-acetyloxypropyl acetate;ethane-1,2-diol;ethoxyethane;methoxymethane?
The canonical SMILES for 2-acetyloxypropyl acetate;ethane-1,2-diol;ethoxyethane;methoxymethane is CC(=O)OCC(C)OC(C)=O.CCOCC.COC.OCCO.
What is the InChIKey of 2-acetyloxypropyl acetate;ethane-1,2-diol;ethoxyethane;methoxymethane?
The InChIKey is YCYWVUYRJBRKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4.C4H10O.C2H6O2.C2H6O/c1-5(11-7(3)9)4-10-6(2)8;1-3-5-4-2;3-1-2-4;1-3-2/h5H,4H2,1-3H3;3-4H2,1-2H3;3-4H,1-2H2;1-2H3.
What are the key properties of 2-acetyloxypropyl acetate;ethane-1,2-diol;ethoxyethane;methoxymethane?
2-acetyloxypropyl acetate;ethane-1,2-diol;ethoxyethane;methoxymethane has a molecular weight of 342.43 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxypropyl acetate;ethane-1,2-diol;ethoxyethane;methoxymethane is sourced from PubChem (CID 173118871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).