(4S,5S)-5-(2-hydroxyethyl)-4-methyloxolan-2-one

C7H12O3 — CID 131131118

IUPAC(4S,5S)-5-(2-hydroxyethyl)-4-methyloxolan-2-one
SMILESC[C@H]1CC(=O)O[C@H]1CCO
InChIInChI=1S/C7H12O3/c1-5-4-7(9)10-6(5)2-3-8/h5-6,8H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyLXXKAHDSBYCXJH-WDSKDSINSA-N
MW144.17 g/mol
LogP0.32
Rot. Bonds2

About (4S,5S)-5-(2-hydroxyethyl)-4-methyloxolan-2-one

(4S,5S)-5-(2-hydroxyethyl)-4-methyloxolan-2-one (PubChem CID 131131118) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (4S,5S)-5-(2-hydroxyethyl)-4-methyloxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-5-(2-hydroxyethyl)-4-methyloxolan-2-one
PubChem CID131131118
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(4S,5S)-5-(2-hydroxyethyl)-4-methyloxolan-2-one
SMILESC[C@H]1CC(=O)O[C@H]1CCO
InChIInChI=1S/C7H12O3/c1-5-4-7(9)10-6(5)2-3-8/h5-6,8H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyLXXKAHDSBYCXJH-WDSKDSINSA-N
XLogP0.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5R)-5-(hydroxymethyl)-4-methyloxolan-2-one
CID 10820549
(4R,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-one
CID 13367846
[(2R,3R)-3-methyl-5-oxooxolan-2-yl]methyl acetate
CID 100952681
(4R,6R)-6-(2-hydroxyethyl)-4-methyloxan-2-one
CID 44603863
CID 159220966
CID 159220966
5-hydroxy-4-methyl-6-(2-methylpropyl)oxan-2-one
CID 13412077
5-decyloxolan-2-one;4-methyl-5-pentyloxolan-2-one
CID 164873701
tert-butyl N-[[(2S,3R)-3-methyl-5-oxooxolan-2-yl]methyl]carbamate
CID 130763729
(4S,5R)-5-[(2S)-1-hydroxypropan-2-yl]-4-methyloxolan-2-one
CID 102210599
butane;(7R,8R)-8-hexyl-7-methyloxocane-2,5-dione
CID 170769406
5-acetyl-4-methyloxolan-2-one
CID 14713998
(4R,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-one
CID 13330008

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-(2-hydroxyethyl)-4-methyloxolan-2-one?
The IUPAC name of (4S,5S)-5-(2-hydroxyethyl)-4-methyloxolan-2-one (CID 131131118) is (4S,5S)-5-(2-hydroxyethyl)-4-methyloxolan-2-one.
What is the SMILES notation for (4S,5S)-5-(2-hydroxyethyl)-4-methyloxolan-2-one?
The canonical SMILES for (4S,5S)-5-(2-hydroxyethyl)-4-methyloxolan-2-one is C[C@H]1CC(=O)O[C@H]1CCO.
What is the InChIKey of (4S,5S)-5-(2-hydroxyethyl)-4-methyloxolan-2-one?
The InChIKey is LXXKAHDSBYCXJH-WDSKDSINSA-N. The full InChI is InChI=1S/C7H12O3/c1-5-4-7(9)10-6(5)2-3-8/h5-6,8H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of (4S,5S)-5-(2-hydroxyethyl)-4-methyloxolan-2-one?
(4S,5S)-5-(2-hydroxyethyl)-4-methyloxolan-2-one has a molecular weight of 144.17 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-(2-hydroxyethyl)-4-methyloxolan-2-one is sourced from PubChem (CID 131131118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).