2,3-diacetyloxypropyl acetate;ethyl butanoate

C15H26O8 — CID 146464285

IUPAC2,3-diacetyloxypropyl acetate;ethyl butanoate
SMILESCC(=O)OCC(COC(C)=O)OC(C)=O.CCCC(=O)OCC
InChIInChI=1S/C9H14O6.C6H12O2/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11;1-3-5-6(7)8-4-2/h9H,4-5H2,1-3H3;3-5H2,1-2H3
InChIKeyORSCVHZYNJWRSM-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.39
Rot. Bonds8

About 2,3-diacetyloxypropyl acetate;ethyl butanoate

2,3-diacetyloxypropyl acetate;ethyl butanoate (PubChem CID 146464285) has the molecular formula C15H26O8 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2,3-diacetyloxypropyl acetate;ethyl butanoate.

Molecular Properties

Compound Name2,3-diacetyloxypropyl acetate;ethyl butanoate
PubChem CID146464285
Molecular FormulaC15H26O8
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC Name2,3-diacetyloxypropyl acetate;ethyl butanoate
SMILESCC(=O)OCC(COC(C)=O)OC(C)=O.CCCC(=O)OCC
InChIInChI=1S/C9H14O6.C6H12O2/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11;1-3-5-6(7)8-4-2/h9H,4-5H2,1-3H3;3-5H2,1-2H3
InChIKeyORSCVHZYNJWRSM-UHFFFAOYSA-N
XLogP1.39
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 2,3-diacetyloxypropyl acetate;ethyl butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-2,3-diacetyloxypropyl] octadecanoate
CID 97041702
ethyl 3,4-di(butanoyloxy)butanoate
CID 139957363
1-acetyloxybutan-2-yl butanoate;methane
CID 158977215
azane;2,3-diacetyloxypropyl acetate;hydrochloride
CID 173356168
ethyl (1,2-13C2)butanoate
CID 157463359
ethyl butanoate
CID 7762
butane-2,3-dione;ethyl butanoate
CID 158568600
acetic acid;2,3-di(butanoyloxy)propyl butanoate;2,3-dihydroxypropyl acetate
CID 174547325
(2-acetyloxy-3-butoxypropyl) acetate
CID 14173108
1,3-diacetyloxypropan-2-yl propanoate
CID 90139803
[(2S,5S)-2,5,6-triacetyloxyhexyl] acetate
CID 91758706
[2-butanoyloxy-3-[2,3-di(butanoyloxy)propoxy]propyl] butanoate
CID 551549

Frequently Asked Questions

What is the IUPAC name of 2,3-diacetyloxypropyl acetate;ethyl butanoate?
The IUPAC name of 2,3-diacetyloxypropyl acetate;ethyl butanoate (CID 146464285) is 2,3-diacetyloxypropyl acetate;ethyl butanoate.
What is the SMILES notation for 2,3-diacetyloxypropyl acetate;ethyl butanoate?
The canonical SMILES for 2,3-diacetyloxypropyl acetate;ethyl butanoate is CC(=O)OCC(COC(C)=O)OC(C)=O.CCCC(=O)OCC.
What is the InChIKey of 2,3-diacetyloxypropyl acetate;ethyl butanoate?
The InChIKey is ORSCVHZYNJWRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O6.C6H12O2/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11;1-3-5-6(7)8-4-2/h9H,4-5H2,1-3H3;3-5H2,1-2H3.
What are the key properties of 2,3-diacetyloxypropyl acetate;ethyl butanoate?
2,3-diacetyloxypropyl acetate;ethyl butanoate has a molecular weight of 334.37 g/mol, XLogP of 1.39, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diacetyloxypropyl acetate;ethyl butanoate is sourced from PubChem (CID 146464285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).