(4S,5R)-5-(hydroxymethyl)-4-methyloxolan-2-one

C6H10O3 — CID 10820549

IUPAC(4S,5R)-5-(hydroxymethyl)-4-methyloxolan-2-one
SMILESC[C@H]1CC(=O)O[C@H]1CO
InChIInChI=1S/C6H10O3/c1-4-2-6(8)9-5(4)3-7/h4-5,7H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyFBTOCHKZAQZWSO-WHFBIAKZSA-N
MW130.14 g/mol
LogP-0.07
Rot. Bonds1

About (4S,5R)-5-(hydroxymethyl)-4-methyloxolan-2-one

(4S,5R)-5-(hydroxymethyl)-4-methyloxolan-2-one (PubChem CID 10820549) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (4S,5R)-5-(hydroxymethyl)-4-methyloxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-5-(hydroxymethyl)-4-methyloxolan-2-one
PubChem CID10820549
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(4S,5R)-5-(hydroxymethyl)-4-methyloxolan-2-one
SMILESC[C@H]1CC(=O)O[C@H]1CO
InChIInChI=1S/C6H10O3/c1-4-2-6(8)9-5(4)3-7/h4-5,7H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyFBTOCHKZAQZWSO-WHFBIAKZSA-N
XLogP-0.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5S)-5-(2-hydroxyethyl)-4-methyloxolan-2-one
CID 131131118
(4R,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-one
CID 13367846
(4R,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-one
CID 13330008
[(2R,3R)-3-methyl-5-oxooxolan-2-yl]methyl acetate
CID 100952681
CID 159220966
CID 159220966
5-hydroxy-4-methyl-6-(2-methylpropyl)oxan-2-one
CID 13412077
(4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one
CID 25179342
(4S,5R)-4-(hydroxymethyl)-5-methyloxolan-2-one
CID 102211064
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
(4R)-6-(hydroxymethyl)-4-methyloxan-2-one
CID 58858610
6-(hydroxymethyl)-4-methyloxan-2-one
CID 14520546

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-(hydroxymethyl)-4-methyloxolan-2-one?
The IUPAC name of (4S,5R)-5-(hydroxymethyl)-4-methyloxolan-2-one (CID 10820549) is (4S,5R)-5-(hydroxymethyl)-4-methyloxolan-2-one.
What is the SMILES notation for (4S,5R)-5-(hydroxymethyl)-4-methyloxolan-2-one?
The canonical SMILES for (4S,5R)-5-(hydroxymethyl)-4-methyloxolan-2-one is C[C@H]1CC(=O)O[C@H]1CO.
What is the InChIKey of (4S,5R)-5-(hydroxymethyl)-4-methyloxolan-2-one?
The InChIKey is FBTOCHKZAQZWSO-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H10O3/c1-4-2-6(8)9-5(4)3-7/h4-5,7H,2-3H2,1H3/t4-,5-/m0/s1.
What are the key properties of (4S,5R)-5-(hydroxymethyl)-4-methyloxolan-2-one?
(4S,5R)-5-(hydroxymethyl)-4-methyloxolan-2-one has a molecular weight of 130.14 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-(hydroxymethyl)-4-methyloxolan-2-one is sourced from PubChem (CID 10820549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).