[2-acetyloxy-2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] acetate

C16H26O8 — CID 568192

IUPAC[2-acetyloxy-2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] acetate
SMILESCC(=O)OCC(OC(C)=O)C1OC(C)(C)OC1C1COC(C)(C)O1
InChIInChI=1S/C16H26O8/c1-9(17)19-7-11(21-10(2)18)13-14(24-16(5,6)23-13)12-8-20-15(3,4)22-12/h11-14H,7-8H2,1-6H3
InChIKeyAZQCUBQMIFZSOI-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.15
Rot. Bonds5

About [2-acetyloxy-2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] acetate

[2-acetyloxy-2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] acetate (PubChem CID 568192) has the molecular formula C16H26O8 and a molecular weight of 346.38 g/mol. Its IUPAC name is [2-acetyloxy-2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] acetate.

Molecular Properties

Compound Name[2-acetyloxy-2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] acetate
PubChem CID568192
Molecular FormulaC16H26O8
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC Name[2-acetyloxy-2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] acetate
SMILESCC(=O)OCC(OC(C)=O)C1OC(C)(C)OC1C1COC(C)(C)O1
InChIInChI=1S/C16H26O8/c1-9(17)19-7-11(21-10(2)18)13-14(24-16(5,6)23-13)12-8-20-15(3,4)22-12/h11-14H,7-8H2,1-6H3
InChIKeyAZQCUBQMIFZSOI-UHFFFAOYSA-N
XLogP1.15
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 31340
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1,2,3,4,5,6-Hexa-O-acetylhexitol
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Galactitol hexaacetate
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1,4,5,6-Tetra-o-acetyl-2,3-di-o-methyl-glucitol
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(2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-yl)methyl acetate
CID 298218
[5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate
CID 3734171
6-Deoxysorbitol pentaacetate
CID 539115
alpha-D-Glucofuranose, 1,2-O-(1-methylethylidene)-, tributanoate
CID 3079327
1,2:5,6-Bis-O-(1-methylethylidene)-alpha-D-glucofuranose acetate
CID 2733331

Frequently Asked Questions

What is the IUPAC name of [2-acetyloxy-2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] acetate?
The IUPAC name of [2-acetyloxy-2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] acetate (CID 568192) is [2-acetyloxy-2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] acetate.
What is the SMILES notation for [2-acetyloxy-2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] acetate?
The canonical SMILES for [2-acetyloxy-2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] acetate is CC(=O)OCC(OC(C)=O)C1OC(C)(C)OC1C1COC(C)(C)O1.
What is the InChIKey of [2-acetyloxy-2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] acetate?
The InChIKey is AZQCUBQMIFZSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O8/c1-9(17)19-7-11(21-10(2)18)13-14(24-16(5,6)23-13)12-8-20-15(3,4)22-12/h11-14H,7-8H2,1-6H3.
What are the key properties of [2-acetyloxy-2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] acetate?
[2-acetyloxy-2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] acetate has a molecular weight of 346.38 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetyloxy-2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] acetate is sourced from PubChem (CID 568192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).