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

C16H26O8 — CID 538771

IUPAC[2-acetyloxy-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl] acetate
SMILESCC(=O)OC(C1COC(C)(C)O1)C(OC(C)=O)C1COC(C)(C)O1
InChIInChI=1S/C16H26O8/c1-9(17)21-13(11-7-19-15(3,4)23-11)14(22-10(2)18)12-8-20-16(5,6)24-12/h11-14H,7-8H2,1-6H3
InChIKeyMMSXXHNYSBMWLI-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.15
Rot. Bonds5

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

[2-acetyloxy-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl] acetate (PubChem CID 538771) has the molecular formula C16H26O8 and a molecular weight of 346.38 g/mol. Its IUPAC name is [2-acetyloxy-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl] acetate.

Molecular Properties

Compound Name[2-acetyloxy-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl] acetate
PubChem CID538771
Molecular FormulaC16H26O8
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC Name[2-acetyloxy-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl] acetate
SMILESCC(=O)OC(C1COC(C)(C)O1)C(OC(C)=O)C1COC(C)(C)O1
InChIInChI=1S/C16H26O8/c1-9(17)21-13(11-7-19-15(3,4)23-11)14(22-10(2)18)12-8-20-16(5,6)24-12/h11-14H,7-8H2,1-6H3
InChIKeyMMSXXHNYSBMWLI-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

[(1S,2R)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(4-methoxyphenyl)ethyl] acetate
CID 10834457
2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetamide
CID 13388534
(1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 122451653
2-[(4S,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetic acid
CID 24814903
[(1R,2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(4-nitrobenzoyl)oxyethyl] 4-nitrobenzoate
CID 98528602
[(1S,2S)-1,2-bis[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(4-ethenylbenzoyl)oxyethyl] 4-ethenylbenzoate
CID 102439479
[(1R,2R)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate
CID 10029720
methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate
CID 4053441
bis[2-chloro-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl] carbonate
CID 176887438
bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 4047032
tert-butyl 2-[(1R,2R)-1,2-bis[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]acetate
CID 11260368
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylbutan-2-ol
CID 123800024

Frequently Asked Questions

What is the IUPAC name of [2-acetyloxy-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl] acetate?
The IUPAC name of [2-acetyloxy-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl] acetate (CID 538771) is [2-acetyloxy-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl] acetate.
What is the SMILES notation for [2-acetyloxy-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl] acetate?
The canonical SMILES for [2-acetyloxy-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl] acetate is CC(=O)OC(C1COC(C)(C)O1)C(OC(C)=O)C1COC(C)(C)O1.
What is the InChIKey of [2-acetyloxy-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl] acetate?
The InChIKey is MMSXXHNYSBMWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O8/c1-9(17)21-13(11-7-19-15(3,4)23-11)14(22-10(2)18)12-8-20-16(5,6)24-12/h11-14H,7-8H2,1-6H3.
What are the key properties of [2-acetyloxy-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl] acetate?
[2-acetyloxy-1,2-bis(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-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl] acetate is sourced from PubChem (CID 538771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).