(2S,4S,5R)-6-ethyl-4,5-dimethyl-2-propan-2-ylsulfanyloxan-3-ol

C12H24O2S — CID 58173947

IUPAC(2S,4S,5R)-6-ethyl-4,5-dimethyl-2-propan-2-ylsulfanyloxan-3-ol
SMILESCCC1O[C@@H](SC(C)C)C(O)[C@@H](C)[C@H]1C
InChIInChI=1S/C12H24O2S/c1-6-10-8(4)9(5)11(13)12(14-10)15-7(2)3/h7-13H,6H2,1-5H3/t8-,9+,10?,11?,12+/m1/s1
InChIKeyJZSYXYKHBHIFDW-SGCDDIOWSA-N
MW232.39 g/mol
LogP2.90
Rot. Bonds3

About (2S,4S,5R)-6-ethyl-4,5-dimethyl-2-propan-2-ylsulfanyloxan-3-ol

(2S,4S,5R)-6-ethyl-4,5-dimethyl-2-propan-2-ylsulfanyloxan-3-ol (PubChem CID 58173947) has the molecular formula C12H24O2S and a molecular weight of 232.39 g/mol. Its IUPAC name is (2S,4S,5R)-6-ethyl-4,5-dimethyl-2-propan-2-ylsulfanyloxan-3-ol.

Molecular Properties

Compound Name(2S,4S,5R)-6-ethyl-4,5-dimethyl-2-propan-2-ylsulfanyloxan-3-ol
PubChem CID58173947
Molecular FormulaC12H24O2S
Molecular Weight232.39 g/mol
Exact Mass232.15
IUPAC Name(2S,4S,5R)-6-ethyl-4,5-dimethyl-2-propan-2-ylsulfanyloxan-3-ol
SMILESCCC1O[C@@H](SC(C)C)C(O)[C@@H](C)[C@H]1C
InChIInChI=1S/C12H24O2S/c1-6-10-8(4)9(5)11(13)12(14-10)15-7(2)3/h7-13H,6H2,1-5H3/t8-,9+,10?,11?,12+/m1/s1
InChIKeyJZSYXYKHBHIFDW-SGCDDIOWSA-N
XLogP2.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-6-ethyl-4,5-dimethyl-2-propan-2-ylsulfanyloxan-3-ol?
The IUPAC name of (2S,4S,5R)-6-ethyl-4,5-dimethyl-2-propan-2-ylsulfanyloxan-3-ol (CID 58173947) is (2S,4S,5R)-6-ethyl-4,5-dimethyl-2-propan-2-ylsulfanyloxan-3-ol.
What is the SMILES notation for (2S,4S,5R)-6-ethyl-4,5-dimethyl-2-propan-2-ylsulfanyloxan-3-ol?
The canonical SMILES for (2S,4S,5R)-6-ethyl-4,5-dimethyl-2-propan-2-ylsulfanyloxan-3-ol is CCC1O[C@@H](SC(C)C)C(O)[C@@H](C)[C@H]1C.
What is the InChIKey of (2S,4S,5R)-6-ethyl-4,5-dimethyl-2-propan-2-ylsulfanyloxan-3-ol?
The InChIKey is JZSYXYKHBHIFDW-SGCDDIOWSA-N. The full InChI is InChI=1S/C12H24O2S/c1-6-10-8(4)9(5)11(13)12(14-10)15-7(2)3/h7-13H,6H2,1-5H3/t8-,9+,10?,11?,12+/m1/s1.
What are the key properties of (2S,4S,5R)-6-ethyl-4,5-dimethyl-2-propan-2-ylsulfanyloxan-3-ol?
(2S,4S,5R)-6-ethyl-4,5-dimethyl-2-propan-2-ylsulfanyloxan-3-ol has a molecular weight of 232.39 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-6-ethyl-4,5-dimethyl-2-propan-2-ylsulfanyloxan-3-ol is sourced from PubChem (CID 58173947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).