(2-acetyloxy-3-butoxypropyl) acetate

C11H20O5 — CID 14173108

IUPAC(2-acetyloxy-3-butoxypropyl) acetate
SMILESCCCCOCC(COC(C)=O)OC(C)=O
InChIInChI=1S/C11H20O5/c1-4-5-6-14-7-11(16-10(3)13)8-15-9(2)12/h11H,4-8H2,1-3H3
InChIKeyUAZNZXDXNJLBQD-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.30
Rot. Bonds8

About (2-acetyloxy-3-butoxypropyl) acetate

(2-acetyloxy-3-butoxypropyl) acetate (PubChem CID 14173108) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2-acetyloxy-3-butoxypropyl) acetate.

Molecular Properties

Compound Name(2-acetyloxy-3-butoxypropyl) acetate
PubChem CID14173108
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name(2-acetyloxy-3-butoxypropyl) acetate
SMILESCCCCOCC(COC(C)=O)OC(C)=O
InChIInChI=1S/C11H20O5/c1-4-5-6-14-7-11(16-10(3)13)8-15-9(2)12/h11H,4-8H2,1-3H3
InChIKeyUAZNZXDXNJLBQD-UHFFFAOYSA-N
XLogP1.30
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2-acetyloxy-3-butoxypropyl) acetate 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

(2-acetyloxy-3-tetracos-17-enoxypropyl) acetate
CID 162800520
[2-acetyloxy-3-(3,8-diacetyloxydocosoxy)propyl] acetate
CID 175436595
[(2R)-2-acetyloxy-3-hexadecoxypropyl] dodecanoate
CID 86289326
[2-acetyloxy-3-[10-(chloromethoxy)decoxy]propyl] acetate;[2-acetyloxy-3-(10-hydroxydecoxy)propyl] acetate
CID 160889490
azane;2,3-diacetyloxypropyl acetate;hydrochloride
CID 173356168
[(2S)-2,3-diacetyloxypropyl] octadecanoate
CID 97041702
2,3-diacetyloxypropyl 2-methyltetradecanoate
CID 71388381
[(2S,5S)-2,5,6-triacetyloxyhexyl] acetate
CID 91758706
[4-(2-acetyloxy-3-octadecoxypropoxy)-4-oxobutyl]-trimethylazanium iodide
CID 14017032
[3-propoxy-2-(2-propoxyethoxy)propyl] acetate
CID 162455221
2,3-diacetyloxypropyl acetate;ethyl butanoate
CID 146464285
1-butoxybutan-2-yl carbamate
CID 153396389

Frequently Asked Questions

What is the IUPAC name of (2-acetyloxy-3-butoxypropyl) acetate?
The IUPAC name of (2-acetyloxy-3-butoxypropyl) acetate (CID 14173108) is (2-acetyloxy-3-butoxypropyl) acetate.
What is the SMILES notation for (2-acetyloxy-3-butoxypropyl) acetate?
The canonical SMILES for (2-acetyloxy-3-butoxypropyl) acetate is CCCCOCC(COC(C)=O)OC(C)=O.
What is the InChIKey of (2-acetyloxy-3-butoxypropyl) acetate?
The InChIKey is UAZNZXDXNJLBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-4-5-6-14-7-11(16-10(3)13)8-15-9(2)12/h11H,4-8H2,1-3H3.
What are the key properties of (2-acetyloxy-3-butoxypropyl) acetate?
(2-acetyloxy-3-butoxypropyl) acetate has a molecular weight of 232.28 g/mol, XLogP of 1.30, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyloxy-3-butoxypropyl) acetate is sourced from PubChem (CID 14173108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).