(4R,5R)-5-methoxy-4-propan-2-ylsulfanyloxolan-2-one

C8H14O3S — CID 13107790

IUPAC(4R,5R)-5-methoxy-4-propan-2-ylsulfanyloxolan-2-one
SMILESCO[C@@H]1OC(=O)C[C@H]1SC(C)C
InChIInChI=1S/C8H14O3S/c1-5(2)12-6-4-7(9)11-8(6)10-3/h5-6,8H,4H2,1-3H3/t6-,8-/m1/s1
InChIKeyKIVOZTSDRUFVGM-HTRCEHHLSA-N
MW190.26 g/mol
LogP1.42
Rot. Bonds3

About (4R,5R)-5-methoxy-4-propan-2-ylsulfanyloxolan-2-one

(4R,5R)-5-methoxy-4-propan-2-ylsulfanyloxolan-2-one (PubChem CID 13107790) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is (4R,5R)-5-methoxy-4-propan-2-ylsulfanyloxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-5-methoxy-4-propan-2-ylsulfanyloxolan-2-one
PubChem CID13107790
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name(4R,5R)-5-methoxy-4-propan-2-ylsulfanyloxolan-2-one
SMILESCO[C@@H]1OC(=O)C[C@H]1SC(C)C
InChIInChI=1S/C8H14O3S/c1-5(2)12-6-4-7(9)11-8(6)10-3/h5-6,8H,4H2,1-3H3/t6-,8-/m1/s1
InChIKeyKIVOZTSDRUFVGM-HTRCEHHLSA-N
XLogP1.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-methoxy-4-propan-2-ylsulfanyloxolan-2-one
CID 13107800
(4R,5R)-4-(diethylamino)-5-methoxyoxolan-2-one
CID 13107784
methane;5-methoxy-4-methyloxolan-2-one;methyl 4,4-dimethoxy-3-methylbutanoate
CID 161466636
(4S)-4-propan-2-yloxetan-2-one
CID 11126218
(3R,3aR,6aR)-3-hydroxy-2-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 10241281
(4R,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-one
CID 13330008
4-(propan-2-yloxymethyl)oxetan-2-one
CID 11829566
(2S,5S,6S)-6-methoxy-5-methyl-2-propan-2-yloxan-3-one
CID 11063134
6-(dimethoxymethyl)-4-hydroxyoxan-2-one
CID 22909990
(4R,5S,6R)-4-hydroxy-5-methyl-6-propan-2-yloxan-2-one
CID 11105821
5-hydroxy-4-methoxy-6-methyloxan-2-one
CID 18534399
2-methoxy-5-methylideneoxolan-3-amine
CID 59957210

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-methoxy-4-propan-2-ylsulfanyloxolan-2-one?
The IUPAC name of (4R,5R)-5-methoxy-4-propan-2-ylsulfanyloxolan-2-one (CID 13107790) is (4R,5R)-5-methoxy-4-propan-2-ylsulfanyloxolan-2-one.
What is the SMILES notation for (4R,5R)-5-methoxy-4-propan-2-ylsulfanyloxolan-2-one?
The canonical SMILES for (4R,5R)-5-methoxy-4-propan-2-ylsulfanyloxolan-2-one is CO[C@@H]1OC(=O)C[C@H]1SC(C)C.
What is the InChIKey of (4R,5R)-5-methoxy-4-propan-2-ylsulfanyloxolan-2-one?
The InChIKey is KIVOZTSDRUFVGM-HTRCEHHLSA-N. The full InChI is InChI=1S/C8H14O3S/c1-5(2)12-6-4-7(9)11-8(6)10-3/h5-6,8H,4H2,1-3H3/t6-,8-/m1/s1.
What are the key properties of (4R,5R)-5-methoxy-4-propan-2-ylsulfanyloxolan-2-one?
(4R,5R)-5-methoxy-4-propan-2-ylsulfanyloxolan-2-one has a molecular weight of 190.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-methoxy-4-propan-2-ylsulfanyloxolan-2-one is sourced from PubChem (CID 13107790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).