[2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-oxoethyl] acetate

C14H22O7 — CID 10828186

IUPAC[2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)[C@]1(C)CC[C@H]([C@](C)(O)COC(C)=O)O1
InChIInChI=1S/C14H22O7/c1-9(15)19-7-11(17)14(4)6-5-12(21-14)13(3,18)8-20-10(2)16/h12,18H,5-8H2,1-4H3/t12-,13-,14+/m1/s1
InChIKeyHGEQTVKMJGNJPU-MCIONIFRSA-N
MW302.32 g/mol
LogP0.37
Rot. Bonds6

About [2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-oxoethyl] acetate

[2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-oxoethyl] acetate (PubChem CID 10828186) has the molecular formula C14H22O7 and a molecular weight of 302.32 g/mol. Its IUPAC name is [2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-oxoethyl] acetate
PubChem CID10828186
Molecular FormulaC14H22O7
Molecular Weight302.32 g/mol
Exact Mass302.14
IUPAC Name[2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)[C@]1(C)CC[C@H]([C@](C)(O)COC(C)=O)O1
InChIInChI=1S/C14H22O7/c1-9(15)19-7-11(17)14(4)6-5-12(21-14)13(3,18)8-20-10(2)16/h12,18H,5-8H2,1-4H3/t12-,13-,14+/m1/s1
InChIKeyHGEQTVKMJGNJPU-MCIONIFRSA-N
XLogP0.37
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-oxoethyl] 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

5-(Carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid
CID 72789760
5-[(2S,3R)-3-acetyloxy-2-methyl-6-oxooxepan-2-yl]-2-methylpentanoic acid
CID 44379229
(2S)-2-[(2S,3S,5R)-3,5-diethyl-5-pentyloxolan-2-yl]-2-hydroxyacetic acid
CID 127043555
(2R,3R,5S)-5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid
CID 10965923
Xylariolide A
CID 46832765
Xylariolide B
CID 46832766
Lucentide B
CID 139583234
Lucentide A
CID 139586290
methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate
CID 162871474
1,8-Dioxaspiro(4.5)decane-2-carboxylic acid
CID 126983885
1,7-Dioxaspiro[4.4]nonane-2-carboxylic acid
CID 130585198
2-(Oxan-2-yl)oxolane-2-carboxylic acid
CID 132372848

Frequently Asked Questions

What is the IUPAC name of [2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-oxoethyl] acetate?
The IUPAC name of [2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-oxoethyl] acetate (CID 10828186) is [2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-oxoethyl] acetate?
The canonical SMILES for [2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-oxoethyl] acetate is CC(=O)OCC(=O)[C@]1(C)CC[C@H]([C@](C)(O)COC(C)=O)O1.
What is the InChIKey of [2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-oxoethyl] acetate?
The InChIKey is HGEQTVKMJGNJPU-MCIONIFRSA-N. The full InChI is InChI=1S/C14H22O7/c1-9(15)19-7-11(17)14(4)6-5-12(21-14)13(3,18)8-20-10(2)16/h12,18H,5-8H2,1-4H3/t12-,13-,14+/m1/s1.
What are the key properties of [2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-oxoethyl] acetate?
[2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-oxoethyl] acetate has a molecular weight of 302.32 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-oxoethyl] acetate is sourced from PubChem (CID 10828186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).