(3R,4S)-4-hydroxy-3,4-dimethyloxolan-2-one

C6H10O3 — CID 10820550

IUPAC(3R,4S)-4-hydroxy-3,4-dimethyloxolan-2-one
SMILESC[C@H]1C(=O)OC[C@@]1(C)O
InChIInChI=1S/C6H10O3/c1-4-5(7)9-3-6(4,2)8/h4,8H,3H2,1-2H3/t4-,6+/m0/s1
InChIKeyRKKZKDPLEWBYIY-UJURSFKZSA-N
MW130.14 g/mol
LogP-0.07
Rot. Bonds

About (3R,4S)-4-hydroxy-3,4-dimethyloxolan-2-one

(3R,4S)-4-hydroxy-3,4-dimethyloxolan-2-one (PubChem CID 10820550) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (3R,4S)-4-hydroxy-3,4-dimethyloxolan-2-one.

Molecular Properties

Compound Name(3R,4S)-4-hydroxy-3,4-dimethyloxolan-2-one
PubChem CID10820550
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(3R,4S)-4-hydroxy-3,4-dimethyloxolan-2-one
SMILESC[C@H]1C(=O)OC[C@@]1(C)O
InChIInChI=1S/C6H10O3/c1-4-5(7)9-3-6(4,2)8/h4,8H,3H2,1-2H3/t4-,6+/m0/s1
InChIKeyRKKZKDPLEWBYIY-UJURSFKZSA-N
XLogP-0.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
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

[(3S,4S)-3,4-dimethyl-5-oxooxolan-3-yl] 2-methylprop-2-enoate
CID 118501645
diethyl 4-methyl-5-oxooxolane-3,3-dicarboxylate
CID 131888286
3-hydroxy-5,5-dimethyloxan-2-one
CID 70489948
(3R,5R)-5-(hydroxymethyl)-3,5-dimethylmorpholin-2-one
CID 93234204
(3S,5R)-5-(hydroxymethyl)-3,5-dimethylmorpholin-2-one
CID 45086724
(3R)-3,4-dihydroxy-3,5,6,9,13-pentamethyl-1-oxa-6-azacyclotetradecan-14-one;ethane
CID 145467615
3-fluoro-4,4-dimethyloxolan-2-one
CID 102597202
3-amino-4,4-dimethyloxolan-2-one
CID 13247950
methyl N-[(3R)-4,4-dimethyl-2-oxooxolan-3-yl]carbamate
CID 101432003
(3R,4R)-3-hydroxy-3,4-dimethyloxolan-2-one
CID 97303838
4-hydroxy-3,4-dimethylpyrrolidin-2-one
CID 55286568
(3S,3aR,6R,6aS)-3,6-dimethyl-2,3a,5,6a-tetrahydrofuro[3,2-b]furan-3,6-diol
CID 68824826

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-hydroxy-3,4-dimethyloxolan-2-one?
The IUPAC name of (3R,4S)-4-hydroxy-3,4-dimethyloxolan-2-one (CID 10820550) is (3R,4S)-4-hydroxy-3,4-dimethyloxolan-2-one.
What is the SMILES notation for (3R,4S)-4-hydroxy-3,4-dimethyloxolan-2-one?
The canonical SMILES for (3R,4S)-4-hydroxy-3,4-dimethyloxolan-2-one is C[C@H]1C(=O)OC[C@@]1(C)O.
What is the InChIKey of (3R,4S)-4-hydroxy-3,4-dimethyloxolan-2-one?
The InChIKey is RKKZKDPLEWBYIY-UJURSFKZSA-N. The full InChI is InChI=1S/C6H10O3/c1-4-5(7)9-3-6(4,2)8/h4,8H,3H2,1-2H3/t4-,6+/m0/s1.
What are the key properties of (3R,4S)-4-hydroxy-3,4-dimethyloxolan-2-one?
(3R,4S)-4-hydroxy-3,4-dimethyloxolan-2-one has a molecular weight of 130.14 g/mol, XLogP of -0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-hydroxy-3,4-dimethyloxolan-2-one is sourced from PubChem (CID 10820550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).