(3R)-3-[(1S)-1-hydroxy-1-[(1R,2S)-2-methyl-1-oxo-1,3-dithian-2-yl]ethyl]oxolan-2-one

C11H18O4S2 — CID 10684016

IUPAC(3R)-3-[(1S)-1-hydroxy-1-[(1R,2S)-2-methyl-1-oxo-1,3-dithian-2-yl]ethyl]oxolan-2-one
SMILESC[C@](O)([C@H]1CCOC1=O)[C@@]1(C)SCCC[S@]1=O
InChIInChI=1S/C11H18O4S2/c1-10(13,8-4-5-15-9(8)12)11(2)16-6-3-7-17(11)14/h8,13H,3-7H2,1-2H3/t8-,10-,11-,17+/m0/s1
InChIKeySIWQQCFMJUQCBL-IXNJTYEKSA-N
MW278.39 g/mol
LogP0.90
Rot. Bonds2

About (3R)-3-[(1S)-1-hydroxy-1-[(1R,2S)-2-methyl-1-oxo-1,3-dithian-2-yl]ethyl]oxolan-2-one

(3R)-3-[(1S)-1-hydroxy-1-[(1R,2S)-2-methyl-1-oxo-1,3-dithian-2-yl]ethyl]oxolan-2-one (PubChem CID 10684016) has the molecular formula C11H18O4S2 and a molecular weight of 278.39 g/mol. Its IUPAC name is (3R)-3-[(1S)-1-hydroxy-1-[(1R,2S)-2-methyl-1-oxo-1,3-dithian-2-yl]ethyl]oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[(1S)-1-hydroxy-1-[(1R,2S)-2-methyl-1-oxo-1,3-dithian-2-yl]ethyl]oxolan-2-one
PubChem CID10684016
Molecular FormulaC11H18O4S2
Molecular Weight278.39 g/mol
Exact Mass278.06
IUPAC Name(3R)-3-[(1S)-1-hydroxy-1-[(1R,2S)-2-methyl-1-oxo-1,3-dithian-2-yl]ethyl]oxolan-2-one
SMILESC[C@](O)([C@H]1CCOC1=O)[C@@]1(C)SCCC[S@]1=O
InChIInChI=1S/C11H18O4S2/c1-10(13,8-4-5-15-9(8)12)11(2)16-6-3-7-17(11)14/h8,13H,3-7H2,1-2H3/t8-,10-,11-,17+/m0/s1
InChIKeySIWQQCFMJUQCBL-IXNJTYEKSA-N
XLogP0.90
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[(1S)-1-hydroxy-1-[(1R,2S)-2-methyl-1-oxo-1,3-dithian-2-yl]ethyl]oxolan-2-one with MolForge

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Launch Full Analysis

Related Compounds

ethyl (2S,3R)-3-[(1R,2R)-2-ethyl-1-oxo-1,3-dithian-2-yl]-3-hydroxy-2-methylbutanoate
CID 10566780
ethyl (3R)-3-hydroxy-3-[(1R,2R)-2-methyl-1-oxo-1,3-dithian-2-yl]butanoate
CID 10493032
methyl (2S,3R)-3-[(1R,2S)-2-ethyl-1-oxo-1,3-dithian-2-yl]-3-hydroxy-2-methylpentanoate
CID 10518905
ethyl (3R)-3-hydroxy-3-[(1R,2S)-2-methyl-1-oxo-1,3-dithian-2-yl]butanoate
CID 10588846
(3R)-3-[(1S)-1-[(1R,2R)-2-ethyl-1-oxo-1,3-dithian-2-yl]-1-hydroxyethyl]oxolan-2-one
CID 10589752
ethyl (3R)-3-[(1R,2S)-2-ethyl-1-oxo-1,3-dithian-2-yl]-3-hydroxybutanoate
CID 10589916
ethyl (2S,3R)-3-[(1R,2R)-2-ethyl-1-oxo-1,3-dithian-2-yl]-3-hydroxy-2-methylpentanoate
CID 10591962
ethyl (3R)-3-[(1R,2R)-2-ethyl-1-oxo-1,3-dithian-2-yl]-3-hydroxybutanoate
CID 10637579
ethyl (2S,3R)-3-hydroxy-2-methyl-3-[(1R,2R)-2-methyl-1-oxo-1,3-dithian-2-yl]butanoate
CID 10661484
(3R)-3-[(1S)-1-hydroxy-1-[(1R,2R)-2-methyl-1-oxo-1,3-dithian-2-yl]ethyl]oxolan-2-one
CID 10684015
ethane;ethyl (3R)-3-[(1R,2R)-2-ethyl-1-oxo-1,3-dithian-2-yl]-3-hydroxypentanoate
CID 10712083
ethyl (3R)-3-[(1R,2R)-2-ethyl-1-oxo-1,3-dithian-2-yl]-3-hydroxypentanoate
CID 10712084

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1S)-1-hydroxy-1-[(1R,2S)-2-methyl-1-oxo-1,3-dithian-2-yl]ethyl]oxolan-2-one?
The IUPAC name of (3R)-3-[(1S)-1-hydroxy-1-[(1R,2S)-2-methyl-1-oxo-1,3-dithian-2-yl]ethyl]oxolan-2-one (CID 10684016) is (3R)-3-[(1S)-1-hydroxy-1-[(1R,2S)-2-methyl-1-oxo-1,3-dithian-2-yl]ethyl]oxolan-2-one.
What is the SMILES notation for (3R)-3-[(1S)-1-hydroxy-1-[(1R,2S)-2-methyl-1-oxo-1,3-dithian-2-yl]ethyl]oxolan-2-one?
The canonical SMILES for (3R)-3-[(1S)-1-hydroxy-1-[(1R,2S)-2-methyl-1-oxo-1,3-dithian-2-yl]ethyl]oxolan-2-one is C[C@](O)([C@H]1CCOC1=O)[C@@]1(C)SCCC[S@]1=O.
What is the InChIKey of (3R)-3-[(1S)-1-hydroxy-1-[(1R,2S)-2-methyl-1-oxo-1,3-dithian-2-yl]ethyl]oxolan-2-one?
The InChIKey is SIWQQCFMJUQCBL-IXNJTYEKSA-N. The full InChI is InChI=1S/C11H18O4S2/c1-10(13,8-4-5-15-9(8)12)11(2)16-6-3-7-17(11)14/h8,13H,3-7H2,1-2H3/t8-,10-,11-,17+/m0/s1.
What are the key properties of (3R)-3-[(1S)-1-hydroxy-1-[(1R,2S)-2-methyl-1-oxo-1,3-dithian-2-yl]ethyl]oxolan-2-one?
(3R)-3-[(1S)-1-hydroxy-1-[(1R,2S)-2-methyl-1-oxo-1,3-dithian-2-yl]ethyl]oxolan-2-one has a molecular weight of 278.39 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1S)-1-hydroxy-1-[(1R,2S)-2-methyl-1-oxo-1,3-dithian-2-yl]ethyl]oxolan-2-one is sourced from PubChem (CID 10684016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).