methyl (2R)-2-hydroxy-2-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]acetate

C11H20O5 — CID 14633631

IUPACmethyl (2R)-2-hydroxy-2-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]acetate
SMILESCOC(=O)[C@H](O)[C@@]1(C)CC[C@@H](C(C)(C)O)O1
InChIInChI=1S/C11H20O5/c1-10(2,14)7-5-6-11(3,16-7)8(12)9(13)15-4/h7-8,12,14H,5-6H2,1-4H3/t7-,8-,11+/m0/s1
InChIKeyRRUCVFARIMURSI-DKCNOQQISA-N
MW232.28 g/mol
LogP0.23
Rot. Bonds3

About methyl (2R)-2-hydroxy-2-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]acetate

methyl (2R)-2-hydroxy-2-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]acetate (PubChem CID 14633631) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl (2R)-2-hydroxy-2-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-hydroxy-2-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]acetate
PubChem CID14633631
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Namemethyl (2R)-2-hydroxy-2-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]acetate
SMILESCOC(=O)[C@H](O)[C@@]1(C)CC[C@@H](C(C)(C)O)O1
InChIInChI=1S/C11H20O5/c1-10(2,14)7-5-6-11(3,16-7)8(12)9(13)15-4/h7-8,12,14H,5-6H2,1-4H3/t7-,8-,11+/m0/s1
InChIKeyRRUCVFARIMURSI-DKCNOQQISA-N
XLogP0.23
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-hydroxy-2-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]acetate?
The IUPAC name of methyl (2R)-2-hydroxy-2-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]acetate (CID 14633631) is methyl (2R)-2-hydroxy-2-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]acetate.
What is the SMILES notation for methyl (2R)-2-hydroxy-2-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]acetate?
The canonical SMILES for methyl (2R)-2-hydroxy-2-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]acetate is COC(=O)[C@H](O)[C@@]1(C)CC[C@@H](C(C)(C)O)O1.
What is the InChIKey of methyl (2R)-2-hydroxy-2-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]acetate?
The InChIKey is RRUCVFARIMURSI-DKCNOQQISA-N. The full InChI is InChI=1S/C11H20O5/c1-10(2,14)7-5-6-11(3,16-7)8(12)9(13)15-4/h7-8,12,14H,5-6H2,1-4H3/t7-,8-,11+/m0/s1.
What are the key properties of methyl (2R)-2-hydroxy-2-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]acetate?
methyl (2R)-2-hydroxy-2-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]acetate has a molecular weight of 232.28 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-hydroxy-2-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]acetate is sourced from PubChem (CID 14633631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).