[(2R,5S)-5-(acetyloxymethyl)-2,5-dimethyloxolan-2-yl]methyl acetate

C12H20O5 — CID 10490483

IUPAC[(2R,5S)-5-(acetyloxymethyl)-2,5-dimethyloxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@]1(C)CC[C@](C)(COC(C)=O)O1
InChIInChI=1S/C12H20O5/c1-9(13)15-7-11(3)5-6-12(4,17-11)8-16-10(2)14/h5-8H2,1-4H3/t11-,12+
InChIKeyAYFPGXIQLIQYPU-TXEJJXNPSA-N
MW244.29 g/mol
LogP1.44
Rot. Bonds4

About [(2R,5S)-5-(acetyloxymethyl)-2,5-dimethyloxolan-2-yl]methyl acetate

[(2R,5S)-5-(acetyloxymethyl)-2,5-dimethyloxolan-2-yl]methyl acetate (PubChem CID 10490483) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is [(2R,5S)-5-(acetyloxymethyl)-2,5-dimethyloxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,5S)-5-(acetyloxymethyl)-2,5-dimethyloxolan-2-yl]methyl acetate
PubChem CID10490483
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name[(2R,5S)-5-(acetyloxymethyl)-2,5-dimethyloxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@]1(C)CC[C@](C)(COC(C)=O)O1
InChIInChI=1S/C12H20O5/c1-9(13)15-7-11(3)5-6-12(4,17-11)8-16-10(2)14/h5-8H2,1-4H3/t11-,12+
InChIKeyAYFPGXIQLIQYPU-TXEJJXNPSA-N
XLogP1.44
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methyloxiran-2-yl)methyl acetate
CID 10103200
[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl acetate
CID 11106100
(1-aminocyclopropyl)methyl acetate
CID 150213578
CID 59906669
CID 59906669
(1-tert-butylcyclopropyl)methyl acetate
CID 89402636
[1-(sulfanylmethyl)cyclopropyl]methyl acetate
CID 150919960
[5-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methyl-trimethylazanium
CID 135121813
[(2S,5R)-5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methyl N-octadecylcarbamate
CID 14670278
(4-acetyloxyoxan-4-yl)methyl acetate
CID 909733
[(2R,5R)-5-(acetyloxymethyl)-2,5-bis(ethoxymethyl)-1,4-dioxan-2-yl]methyl acetate
CID 100954975
[(2S)-2-methyloxiran-2-yl]methyl propanoate
CID 100919091
(1,3-dihydroxy-2,2-dimethylcyclopentyl)methyl acetate
CID 156768140

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-5-(acetyloxymethyl)-2,5-dimethyloxolan-2-yl]methyl acetate?
The IUPAC name of [(2R,5S)-5-(acetyloxymethyl)-2,5-dimethyloxolan-2-yl]methyl acetate (CID 10490483) is [(2R,5S)-5-(acetyloxymethyl)-2,5-dimethyloxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,5S)-5-(acetyloxymethyl)-2,5-dimethyloxolan-2-yl]methyl acetate?
The canonical SMILES for [(2R,5S)-5-(acetyloxymethyl)-2,5-dimethyloxolan-2-yl]methyl acetate is CC(=O)OC[C@]1(C)CC[C@](C)(COC(C)=O)O1.
What is the InChIKey of [(2R,5S)-5-(acetyloxymethyl)-2,5-dimethyloxolan-2-yl]methyl acetate?
The InChIKey is AYFPGXIQLIQYPU-TXEJJXNPSA-N. The full InChI is InChI=1S/C12H20O5/c1-9(13)15-7-11(3)5-6-12(4,17-11)8-16-10(2)14/h5-8H2,1-4H3/t11-,12+.
What are the key properties of [(2R,5S)-5-(acetyloxymethyl)-2,5-dimethyloxolan-2-yl]methyl acetate?
[(2R,5S)-5-(acetyloxymethyl)-2,5-dimethyloxolan-2-yl]methyl acetate has a molecular weight of 244.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-5-(acetyloxymethyl)-2,5-dimethyloxolan-2-yl]methyl acetate is sourced from PubChem (CID 10490483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).