(3S,4R,5R)-3-hydroxy-4,5-dimethyloxolan-2-one

C6H10O3 — CID 130927474

IUPAC(3S,4R,5R)-3-hydroxy-4,5-dimethyloxolan-2-one
SMILESC[C@@H]1[C@H](O)C(=O)O[C@@H]1C
InChIInChI=1S/C6H10O3/c1-3-4(2)9-6(8)5(3)7/h3-5,7H,1-2H3/t3-,4+,5-/m0/s1
InChIKeyOCIRUFLKJHXXGD-LMVFSUKVSA-N
MW130.14 g/mol
LogP-0.07
Rot. Bonds

About (3S,4R,5R)-3-hydroxy-4,5-dimethyloxolan-2-one

(3S,4R,5R)-3-hydroxy-4,5-dimethyloxolan-2-one (PubChem CID 130927474) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (3S,4R,5R)-3-hydroxy-4,5-dimethyloxolan-2-one.

Molecular Properties

Compound Name(3S,4R,5R)-3-hydroxy-4,5-dimethyloxolan-2-one
PubChem CID130927474
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(3S,4R,5R)-3-hydroxy-4,5-dimethyloxolan-2-one
SMILESC[C@@H]1[C@H](O)C(=O)O[C@@H]1C
InChIInChI=1S/C6H10O3/c1-3-4(2)9-6(8)5(3)7/h3-5,7H,1-2H3/t3-,4+,5-/m0/s1
InChIKeyOCIRUFLKJHXXGD-LMVFSUKVSA-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

(3R,5S)-3,4,5-trihydroxy-6-methyloxan-2-one
CID 90338107
(3R,4R,5R,6R)-4-hydroxy-3,5,6-trimethyloxan-2-one
CID 58594793
(3S,4R,5R)-3-hydroxy-4-methyl-5-propan-2-yloxolan-2-one
CID 92979432
(3R,4S,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4S,5R)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5R)-3-amino-4,5-dimethyloxolan-2-one
CID 161481341
(2S,3R,4S)-2,3-dimethyl-5-oxo-4-(sulfinoamino)oxolane
CID 89334107
N-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]formamide
CID 89219311
(3S,4S)-3,4-dimethyloxetan-2-one
CID 12501630
(3S,6S)-5-hydroxy-3,6-dimethyl-1,4-dioxan-2-one
CID 129171742
(3S,4R,6R)-4,6-dihydroxy-3,7-dimethyloxepan-2-one
CID 91061020
(4S,5R,6R)-3,5-diamino-4-hydroxy-6-methyloxan-2-one
CID 163587675
CID 100946634
CID 100946634
4,5-dihydroxy-6-methyloxane-2,3-dione
CID 123619824

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-3-hydroxy-4,5-dimethyloxolan-2-one?
The IUPAC name of (3S,4R,5R)-3-hydroxy-4,5-dimethyloxolan-2-one (CID 130927474) is (3S,4R,5R)-3-hydroxy-4,5-dimethyloxolan-2-one.
What is the SMILES notation for (3S,4R,5R)-3-hydroxy-4,5-dimethyloxolan-2-one?
The canonical SMILES for (3S,4R,5R)-3-hydroxy-4,5-dimethyloxolan-2-one is C[C@@H]1[C@H](O)C(=O)O[C@@H]1C.
What is the InChIKey of (3S,4R,5R)-3-hydroxy-4,5-dimethyloxolan-2-one?
The InChIKey is OCIRUFLKJHXXGD-LMVFSUKVSA-N. The full InChI is InChI=1S/C6H10O3/c1-3-4(2)9-6(8)5(3)7/h3-5,7H,1-2H3/t3-,4+,5-/m0/s1.
What are the key properties of (3S,4R,5R)-3-hydroxy-4,5-dimethyloxolan-2-one?
(3S,4R,5R)-3-hydroxy-4,5-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 (3S,4R,5R)-3-hydroxy-4,5-dimethyloxolan-2-one is sourced from PubChem (CID 130927474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).