2-(2-acetyloxypropan-2-yloxy)propan-2-yl acetate

C10H18O5 — CID 142775471

IUPAC2-(2-acetyloxypropan-2-yloxy)propan-2-yl acetate
SMILESCC(=O)OC(C)(C)OC(C)(C)OC(C)=O
InChIInChI=1S/C10H18O5/c1-7(11)13-9(3,4)15-10(5,6)14-8(2)12/h1-6H3
InChIKeyNCPYXYGDOKCRPR-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.60
Rot. Bonds4

About 2-(2-acetyloxypropan-2-yloxy)propan-2-yl acetate

2-(2-acetyloxypropan-2-yloxy)propan-2-yl acetate (PubChem CID 142775471) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-(2-acetyloxypropan-2-yloxy)propan-2-yl acetate.

Molecular Properties

Compound Name2-(2-acetyloxypropan-2-yloxy)propan-2-yl acetate
PubChem CID142775471
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name2-(2-acetyloxypropan-2-yloxy)propan-2-yl acetate
SMILESCC(=O)OC(C)(C)OC(C)(C)OC(C)=O
InChIInChI=1S/C10H18O5/c1-7(11)13-9(3,4)15-10(5,6)14-8(2)12/h1-6H3
InChIKeyNCPYXYGDOKCRPR-UHFFFAOYSA-N
XLogP1.60
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl acetate
CID 159704758
2-ethoxypropan-2-yl acetate
CID 19889183
[diacetyloxy(triacetyloxymethoxy)methyl] acetate
CID 154211152
sodium tert-butyl acetate
CID 22391906
tert-butyl acetate;iron
CID 174907269
1,1,2,2,2-pentaacetyloxyethyl acetate
CID 71773968
1,1-diaminoethyl acetate
CID 87732493
lithium 2-methanidylpropan-2-yl acetate
CID 18448727
(2-acetyloxy-1,1,1-trihydroxypropan-2-yl) acetate
CID 87642974
(4-acetyloxy-2,4-dimethylpentan-2-yl) acetate;methane
CID 161391637
azane;2,3,4-trimethylpentan-3-yl acetate
CID 87190054
(3-amino-2,3-dimethylbutan-2-yl) acetate
CID 163657238

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyloxypropan-2-yloxy)propan-2-yl acetate?
The IUPAC name of 2-(2-acetyloxypropan-2-yloxy)propan-2-yl acetate (CID 142775471) is 2-(2-acetyloxypropan-2-yloxy)propan-2-yl acetate.
What is the SMILES notation for 2-(2-acetyloxypropan-2-yloxy)propan-2-yl acetate?
The canonical SMILES for 2-(2-acetyloxypropan-2-yloxy)propan-2-yl acetate is CC(=O)OC(C)(C)OC(C)(C)OC(C)=O.
What is the InChIKey of 2-(2-acetyloxypropan-2-yloxy)propan-2-yl acetate?
The InChIKey is NCPYXYGDOKCRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-7(11)13-9(3,4)15-10(5,6)14-8(2)12/h1-6H3.
What are the key properties of 2-(2-acetyloxypropan-2-yloxy)propan-2-yl acetate?
2-(2-acetyloxypropan-2-yloxy)propan-2-yl acetate has a molecular weight of 218.25 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyloxypropan-2-yloxy)propan-2-yl acetate is sourced from PubChem (CID 142775471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).