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

C6H10O3 — CID 102211064

IUPAC(4S,5R)-4-(hydroxymethyl)-5-methyloxolan-2-one
SMILESC[C@H]1OC(=O)C[C@H]1CO
InChIInChI=1S/C6H10O3/c1-4-5(3-7)2-6(8)9-4/h4-5,7H,2-3H2,1H3/t4-,5+/m1/s1
InChIKeySKXSHGJTWGQQGJ-UHNVWZDZSA-N
MW130.14 g/mol
LogP-0.07
Rot. Bonds1

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

(4S,5R)-4-(hydroxymethyl)-5-methyloxolan-2-one (PubChem CID 102211064) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (4S,5R)-4-(hydroxymethyl)-5-methyloxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-4-(hydroxymethyl)-5-methyloxolan-2-one
PubChem CID102211064
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(4S,5R)-4-(hydroxymethyl)-5-methyloxolan-2-one
SMILESC[C@H]1OC(=O)C[C@H]1CO
InChIInChI=1S/C6H10O3/c1-4-5(3-7)2-6(8)9-4/h4-5,7H,2-3H2,1H3/t4-,5+/m1/s1
InChIKeySKXSHGJTWGQQGJ-UHNVWZDZSA-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

5-methyl-4-(silylmethyl)oxolan-2-one
CID 174039472
5-methyl-4-prop-2-enyloxolan-2-one
CID 14489431
(4S,5S)-4-amino-5-methyloxolan-2-one
CID 102354103
(4S,5R)-5-(hydroxymethyl)-4-methyloxolan-2-one
CID 10820549
(4R)-6-(hydroxymethyl)-4-methyloxan-2-one
CID 58858610
6-(hydroxymethyl)-4-methyloxan-2-one
CID 14520546
(2-methyl-3,4-dihydro-2H-chromen-3-yl)methanol
CID 130824833
(4R,5S)-5-methyl-4-[(4-methylphenyl)sulfonylmethyl]oxolan-2-one
CID 23241156
(2R,3S,4R)-4-amino-2-methyl-6-oxooxane-3-carboxylic acid
CID 10130181
4-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one
CID 20652083
5-[(E)-3,4-dihydroxybut-2-enyl]-4-(hydroxymethyl)oxolan-2-one
CID 10352808
(3aS,5R,6R,6aR)-6-hydroxy-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 132544569

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-(hydroxymethyl)-5-methyloxolan-2-one?
The IUPAC name of (4S,5R)-4-(hydroxymethyl)-5-methyloxolan-2-one (CID 102211064) is (4S,5R)-4-(hydroxymethyl)-5-methyloxolan-2-one.
What is the SMILES notation for (4S,5R)-4-(hydroxymethyl)-5-methyloxolan-2-one?
The canonical SMILES for (4S,5R)-4-(hydroxymethyl)-5-methyloxolan-2-one is C[C@H]1OC(=O)C[C@H]1CO.
What is the InChIKey of (4S,5R)-4-(hydroxymethyl)-5-methyloxolan-2-one?
The InChIKey is SKXSHGJTWGQQGJ-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H10O3/c1-4-5(3-7)2-6(8)9-4/h4-5,7H,2-3H2,1H3/t4-,5+/m1/s1.
What are the key properties of (4S,5R)-4-(hydroxymethyl)-5-methyloxolan-2-one?
(4S,5R)-4-(hydroxymethyl)-5-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)-4-(hydroxymethyl)-5-methyloxolan-2-one is sourced from PubChem (CID 102211064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).