(5R)-4-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-one

C6H10O4 — CID 45103169

IUPAC(5R)-4-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-one
SMILESCC1(O)CC(=O)O[C@@H]1CO
InChIInChI=1S/C6H10O4/c1-6(9)2-5(8)10-4(6)3-7/h4,7,9H,2-3H2,1H3/t4-,6?/m1/s1
InChIKeyCNRSIWAWFDTJSG-NJXYFUOMSA-N
MW146.14 g/mol
LogP-0.95
Rot. Bonds1

About (5R)-4-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-one

(5R)-4-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-one (PubChem CID 45103169) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (5R)-4-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-one.

Molecular Properties

Compound Name(5R)-4-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-one
PubChem CID45103169
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(5R)-4-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-one
SMILESCC1(O)CC(=O)O[C@@H]1CO
InChIInChI=1S/C6H10O4/c1-6(9)2-5(8)10-4(6)3-7/h4,7,9H,2-3H2,1H3/t4-,6?/m1/s1
InChIKeyCNRSIWAWFDTJSG-NJXYFUOMSA-N
XLogP-0.95
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-one
CID 101211008
5-(azidomethyl)-4,4-dimethyloxolan-2-one
CID 151636608
(2R,3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol
CID 91038054
(3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol
CID 91418847
6-[2-(2-benzylphenyl)ethyl]-5-bromo-4-hydroxy-4-methyloxan-2-one
CID 70597286
(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 11513798
5-(hydroxymethyl)-3,3-dimethyloxolan-2-one
CID 574735
(3S)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 58701530
[(2S)-3,3-dimethyloxiran-2-yl]methanol
CID 11105322
(4S,5S)-4-cyclopropyl-5-hydroxy-4-methyloxolan-2-one
CID 131041836
(2R,3S,4S)-3-ethyl-2-(hydroxymethyl)oxolane-3,4-diol
CID 174354499
(2R,5R)-2-(hydroxymethyl)-3,5-dimethyloxan-3-ol
CID 134289608

Frequently Asked Questions

What is the IUPAC name of (5R)-4-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-one?
The IUPAC name of (5R)-4-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-one (CID 45103169) is (5R)-4-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-one.
What is the SMILES notation for (5R)-4-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-one?
The canonical SMILES for (5R)-4-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-one is CC1(O)CC(=O)O[C@@H]1CO.
What is the InChIKey of (5R)-4-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-one?
The InChIKey is CNRSIWAWFDTJSG-NJXYFUOMSA-N. The full InChI is InChI=1S/C6H10O4/c1-6(9)2-5(8)10-4(6)3-7/h4,7,9H,2-3H2,1H3/t4-,6?/m1/s1.
What are the key properties of (5R)-4-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-one?
(5R)-4-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-one has a molecular weight of 146.14 g/mol, XLogP of -0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-one is sourced from PubChem (CID 45103169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).