(3R,4R)-3-hydroxy-4-methyloxolan-2-one

C5H8O3 — CID 10953469

IUPAC(3R,4R)-3-hydroxy-4-methyloxolan-2-one
SMILESC[C@@H]1COC(=O)[C@@H]1O
InChIInChI=1S/C5H8O3/c1-3-2-8-5(7)4(3)6/h3-4,6H,2H2,1H3/t3-,4-/m1/s1
InChIKeyGFPAFTLIWBGZMF-QWWZWVQMSA-N
MW116.12 g/mol
LogP-0.46
Rot. Bonds

About (3R,4R)-3-hydroxy-4-methyloxolan-2-one

(3R,4R)-3-hydroxy-4-methyloxolan-2-one (PubChem CID 10953469) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is (3R,4R)-3-hydroxy-4-methyloxolan-2-one.

Molecular Properties

Compound Name(3R,4R)-3-hydroxy-4-methyloxolan-2-one
PubChem CID10953469
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name(3R,4R)-3-hydroxy-4-methyloxolan-2-one
SMILESC[C@@H]1COC(=O)[C@@H]1O
InChIInChI=1S/C5H8O3/c1-3-2-8-5(7)4(3)6/h3-4,6H,2H2,1H3/t3-,4-/m1/s1
InChIKeyGFPAFTLIWBGZMF-QWWZWVQMSA-N
XLogP-0.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyloxolan-2-one
CID 15090448
N-[(3S,4R)-4-methyl-2-oxooxolan-3-yl]acetamide
CID 131037907
(3R,4R)-4-fluoro-3-hydroxyoxolan-2-one
CID 131176048
3-hydroxy-4-propan-2-yloxolan-2-one
CID 130147682
(3S,4R,5S)-4-hydroxy-5-methyl-3-propyloxan-2-one
CID 142808354
(3S,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-one
CID 131176445
(4S,4aR,7aS)-4-hydroxy-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one
CID 53362983
(3R,4R)-4-methyl-5-oxooxolane-3-carboxylic acid
CID 6951610
(3S,4S)-4-methyl-5-oxooxolane-3-carboxylic acid
CID 6951612
3-hydroxy-3,3a,6,6a-tetrahydrofuro[2,3-c]furan-2,4-dione
CID 22034553
4-methyl-5-oxooxolane-3-carboxylic acid
CID 166063957
(3R,4R,5S,6R)-3,4,5,6-tetrahydroxyoxocan-2-one
CID 118468529

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-hydroxy-4-methyloxolan-2-one?
The IUPAC name of (3R,4R)-3-hydroxy-4-methyloxolan-2-one (CID 10953469) is (3R,4R)-3-hydroxy-4-methyloxolan-2-one.
What is the SMILES notation for (3R,4R)-3-hydroxy-4-methyloxolan-2-one?
The canonical SMILES for (3R,4R)-3-hydroxy-4-methyloxolan-2-one is C[C@@H]1COC(=O)[C@@H]1O.
What is the InChIKey of (3R,4R)-3-hydroxy-4-methyloxolan-2-one?
The InChIKey is GFPAFTLIWBGZMF-QWWZWVQMSA-N. The full InChI is InChI=1S/C5H8O3/c1-3-2-8-5(7)4(3)6/h3-4,6H,2H2,1H3/t3-,4-/m1/s1.
What are the key properties of (3R,4R)-3-hydroxy-4-methyloxolan-2-one?
(3R,4R)-3-hydroxy-4-methyloxolan-2-one has a molecular weight of 116.12 g/mol, XLogP of -0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-hydroxy-4-methyloxolan-2-one is sourced from PubChem (CID 10953469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).