(2S,3S,5S)-5-methyl-3-propan-2-yloxy-2-(propan-2-ylsulfanylmethyl)oxolane

C12H24O2S — CID 58566906

IUPAC(2S,3S,5S)-5-methyl-3-propan-2-yloxy-2-(propan-2-ylsulfanylmethyl)oxolane
SMILESC[C@H]1C[C@@H]([C@H](O1)CSC(C)C)OC(C)C
InChIInChI=1S/C12H24O2S/c1-8(2)13-11-6-10(5)14-12(11)7-15-9(3)4/h8-12H,6-7H2,1-5H3/t10-,11-,12+/m0/s1
InChIKeyNQQPEPPQQDWXOA-SDDRHHMPSA-N
MW232.38 g/mol
LogP2.90
Rot. Bonds5

About (2S,3S,5S)-5-methyl-3-propan-2-yloxy-2-(propan-2-ylsulfanylmethyl)oxolane

(2S,3S,5S)-5-methyl-3-propan-2-yloxy-2-(propan-2-ylsulfanylmethyl)oxolane (PubChem CID 58566906) has the molecular formula C12H24O2S and a molecular weight of 232.38 g/mol. Its IUPAC name is (2S,3S,5S)-5-methyl-3-propan-2-yloxy-2-(propan-2-ylsulfanylmethyl)oxolane.

Molecular Properties

Compound Name(2S,3S,5S)-5-methyl-3-propan-2-yloxy-2-(propan-2-ylsulfanylmethyl)oxolane
PubChem CID58566906
Molecular FormulaC12H24O2S
Molecular Weight232.38 g/mol
Exact Mass232.15
IUPAC Name(2S,3S,5S)-5-methyl-3-propan-2-yloxy-2-(propan-2-ylsulfanylmethyl)oxolane
SMILESC[C@H]1C[C@@H]([C@H](O1)CSC(C)C)OC(C)C
InChIInChI=1S/C12H24O2S/c1-8(2)13-11-6-10(5)14-12(11)7-15-9(3)4/h8-12H,6-7H2,1-5H3/t10-,11-,12+/m0/s1
InChIKeyNQQPEPPQQDWXOA-SDDRHHMPSA-N
XLogP2.90
TPSA43.80 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity182

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S)-5-methyl-3-propan-2-yloxy-2-(propan-2-ylsulfanylmethyl)oxolane?
The IUPAC name of (2S,3S,5S)-5-methyl-3-propan-2-yloxy-2-(propan-2-ylsulfanylmethyl)oxolane (CID 58566906) is (2S,3S,5S)-5-methyl-3-propan-2-yloxy-2-(propan-2-ylsulfanylmethyl)oxolane.
What is the SMILES notation for (2S,3S,5S)-5-methyl-3-propan-2-yloxy-2-(propan-2-ylsulfanylmethyl)oxolane?
The canonical SMILES for (2S,3S,5S)-5-methyl-3-propan-2-yloxy-2-(propan-2-ylsulfanylmethyl)oxolane is C[C@H]1C[C@@H]([C@H](O1)CSC(C)C)OC(C)C.
What is the InChIKey of (2S,3S,5S)-5-methyl-3-propan-2-yloxy-2-(propan-2-ylsulfanylmethyl)oxolane?
The InChIKey is NQQPEPPQQDWXOA-SDDRHHMPSA-N. The full InChI is InChI=1S/C12H24O2S/c1-8(2)13-11-6-10(5)14-12(11)7-15-9(3)4/h8-12H,6-7H2,1-5H3/t10-,11-,12+/m0/s1.
What are the key properties of (2S,3S,5S)-5-methyl-3-propan-2-yloxy-2-(propan-2-ylsulfanylmethyl)oxolane?
(2S,3S,5S)-5-methyl-3-propan-2-yloxy-2-(propan-2-ylsulfanylmethyl)oxolane has a molecular weight of 232.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S)-5-methyl-3-propan-2-yloxy-2-(propan-2-ylsulfanylmethyl)oxolane is sourced from PubChem (CID 58566906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).