methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate

C11H18O5 — CID 162871474

IUPACmethyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate
SMILESCC[C@@H]1C[C@](C)([C@](C)(O)C(=O)OC)OC1=O
InChIInChI=1S/C11H18O5/c1-5-7-6-10(2,16-8(7)12)11(3,14)9(13)15-4/h7,14H,5-6H2,1-4H3/t7-,10-,11-/m1/s1
InChIKeyPAZKVHTZNPAXBQ-AVPPRXQKSA-N
MW230.26 g/mol
LogP0.64
Rot. Bonds3

About methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate

methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate (PubChem CID 162871474) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate
PubChem CID162871474
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Namemethyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate
SMILESCC[C@@H]1C[C@](C)([C@](C)(O)C(=O)OC)OC1=O
InChIInChI=1S/C11H18O5/c1-5-7-6-10(2,16-8(7)12)11(3,14)9(13)15-4/h7,14H,5-6H2,1-4H3/t7-,10-,11-/m1/s1
InChIKeyPAZKVHTZNPAXBQ-AVPPRXQKSA-N
XLogP0.64
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-Dicarboxy-gamma-pentadecanolactone
CID 316426
Supiculisporic Acid
CID 73448
5-(Carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid
CID 72789760
Spiculisporic acid C
CID 162923866
(2S)-2-[(2S,3S,5R)-3,5-diethyl-5-pentyloxolan-2-yl]-2-hydroxyacetic acid
CID 127043555
spiculisporic acid D
CID 162857638
(2R,3R,5S)-5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid
CID 10965923
Xylariolide A
CID 46832765
Xylariolide B
CID 46832766
Xylariolide C
CID 46832767
(2S)-2-(1-carboxyundecyl)-5-oxooxolane-2-carboxylic acid
CID 137796063
Lucentide B
CID 139583234

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate?
The IUPAC name of methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate (CID 162871474) is methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate.
What is the SMILES notation for methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate?
The canonical SMILES for methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate is CC[C@@H]1C[C@](C)([C@](C)(O)C(=O)OC)OC1=O.
What is the InChIKey of methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate?
The InChIKey is PAZKVHTZNPAXBQ-AVPPRXQKSA-N. The full InChI is InChI=1S/C11H18O5/c1-5-7-6-10(2,16-8(7)12)11(3,14)9(13)15-4/h7,14H,5-6H2,1-4H3/t7-,10-,11-/m1/s1.
What are the key properties of methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate?
methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate has a molecular weight of 230.26 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate is sourced from PubChem (CID 162871474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).