(4R,6R)-6-(2-hydroxyethyl)-4-methyloxan-2-one

C8H14O3 — CID 44603863

IUPAC(4R,6R)-6-(2-hydroxyethyl)-4-methyloxan-2-one
SMILESC[C@H]1CC(=O)O[C@@H](CCO)C1
InChIInChI=1S/C8H14O3/c1-6-4-7(2-3-9)11-8(10)5-6/h6-7,9H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeySVGBJIUJSUODQT-RQJHMYQMSA-N
MW158.20 g/mol
LogP0.71
Rot. Bonds2

About (4R,6R)-6-(2-hydroxyethyl)-4-methyloxan-2-one

(4R,6R)-6-(2-hydroxyethyl)-4-methyloxan-2-one (PubChem CID 44603863) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (4R,6R)-6-(2-hydroxyethyl)-4-methyloxan-2-one.

Molecular Properties

Compound Name(4R,6R)-6-(2-hydroxyethyl)-4-methyloxan-2-one
PubChem CID44603863
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(4R,6R)-6-(2-hydroxyethyl)-4-methyloxan-2-one
SMILESC[C@H]1CC(=O)O[C@@H](CCO)C1
InChIInChI=1S/C8H14O3/c1-6-4-7(2-3-9)11-8(10)5-6/h6-7,9H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeySVGBJIUJSUODQT-RQJHMYQMSA-N
XLogP0.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-6-(hydroxymethyl)-4-methyloxan-2-one
CID 58858610
6-(hydroxymethyl)-4-methyloxan-2-one
CID 14520546
(4S,6R)-6-ethyl-4-methyloxan-2-one
CID 90453462
6-(bromomethyl)-4-methyloxan-2-one
CID 154701914
2-[2-[(2S,4S)-4-methyl-6-oxooxan-2-yl]ethyl]isoindole-1,3-dione
CID 58273111
(4S,5S)-5-(2-hydroxyethyl)-4-methyloxolan-2-one
CID 131131118
4-ethyl-6-(2-hydroxyethyl)-3-methyloxan-2-one
CID 134175530
(3S,5S)-5-decyl-3-(2-hydroxyethyl)oxolan-2-one
CID 162927277
4,8-diethyl-1,5-dioxocane-2,6-dione
CID 171057524
6-ethyl-4-hydroxyoxan-2-one
CID 20679563
5-(4-hydroxybutyl)-3-methyloxolan-2-one
CID 75152246
6-ethynyl-4-methyloxan-2-one
CID 89442177

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-6-(2-hydroxyethyl)-4-methyloxan-2-one?
The IUPAC name of (4R,6R)-6-(2-hydroxyethyl)-4-methyloxan-2-one (CID 44603863) is (4R,6R)-6-(2-hydroxyethyl)-4-methyloxan-2-one.
What is the SMILES notation for (4R,6R)-6-(2-hydroxyethyl)-4-methyloxan-2-one?
The canonical SMILES for (4R,6R)-6-(2-hydroxyethyl)-4-methyloxan-2-one is C[C@H]1CC(=O)O[C@@H](CCO)C1.
What is the InChIKey of (4R,6R)-6-(2-hydroxyethyl)-4-methyloxan-2-one?
The InChIKey is SVGBJIUJSUODQT-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H14O3/c1-6-4-7(2-3-9)11-8(10)5-6/h6-7,9H,2-5H2,1H3/t6-,7+/m1/s1.
What are the key properties of (4R,6R)-6-(2-hydroxyethyl)-4-methyloxan-2-one?
(4R,6R)-6-(2-hydroxyethyl)-4-methyloxan-2-one has a molecular weight of 158.20 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-6-(2-hydroxyethyl)-4-methyloxan-2-one is sourced from PubChem (CID 44603863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).