2-acetyloxypropyl acetate;propan-2-one

C10H18O5 — CID 159489239

IUPAC2-acetyloxypropyl acetate;propan-2-one
SMILESCC(=O)OCC(C)OC(C)=O.CC(C)=O
InChIInChI=1S/C7H12O4.C3H6O/c1-5(11-7(3)9)4-10-6(2)8;1-3(2)4/h5H,4H2,1-3H3;1-2H3
InChIKeyLXYYJGJTHWKNEI-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.10
Rot. Bonds3

About 2-acetyloxypropyl acetate;propan-2-one

2-acetyloxypropyl acetate;propan-2-one (PubChem CID 159489239) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-acetyloxypropyl acetate;propan-2-one.

Molecular Properties

Compound Name2-acetyloxypropyl acetate;propan-2-one
PubChem CID159489239
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name2-acetyloxypropyl acetate;propan-2-one
SMILESCC(=O)OCC(C)OC(C)=O.CC(C)=O
InChIInChI=1S/C7H12O4.C3H6O/c1-5(11-7(3)9)4-10-6(2)8;1-3(2)4/h5H,4H2,1-3H3;1-2H3
InChIKeyLXYYJGJTHWKNEI-UHFFFAOYSA-N
XLogP1.10
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxypropan-2-yl acetate;2-methoxypropyl acetate
CID 87233398
2-acetyloxypropyl acetate;ethane-1,2-diol;ethoxyethane;methoxymethane
CID 173118871
1-ethoxypropan-2-yl acetate;2-ethoxypropyl acetate;methane
CID 161069991
2-methylpropyl acetate;hydrate
CID 86585368
1-acetyloxypropan-2-yl prop-2-enoate
CID 87413306
bis[(2S)-2-acetyloxypropyl] benzene-1,4-dicarboxylate
CID 67865625
4-O-(1-acetyloxyethyl) 1-O-(2-acetyloxypropyl) butanedioate
CID 123883116
(3,6-diacetyloxy-2,4-dimethylheptyl) acetate
CID 538676
dichloromethane;2-methylpropyl acetate
CID 174845885
2-acetyloxypropyl hexanoate
CID 130305079
1-(iodomethoxy)propan-2-yl acetate
CID 138608644
[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl] acetate
CID 87499609

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxypropyl acetate;propan-2-one?
The IUPAC name of 2-acetyloxypropyl acetate;propan-2-one (CID 159489239) is 2-acetyloxypropyl acetate;propan-2-one.
What is the SMILES notation for 2-acetyloxypropyl acetate;propan-2-one?
The canonical SMILES for 2-acetyloxypropyl acetate;propan-2-one is CC(=O)OCC(C)OC(C)=O.CC(C)=O.
What is the InChIKey of 2-acetyloxypropyl acetate;propan-2-one?
The InChIKey is LXYYJGJTHWKNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4.C3H6O/c1-5(11-7(3)9)4-10-6(2)8;1-3(2)4/h5H,4H2,1-3H3;1-2H3.
What are the key properties of 2-acetyloxypropyl acetate;propan-2-one?
2-acetyloxypropyl acetate;propan-2-one has a molecular weight of 218.25 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxypropyl acetate;propan-2-one is sourced from PubChem (CID 159489239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).