(2S,3R)-2-phenylsulfanyl-1-trimethylsilyloxyhexan-3-ol

C15H26O2SSi — CID 10891872

IUPAC(2S,3R)-2-phenylsulfanyl-1-trimethylsilyloxyhexan-3-ol
SMILESCCC[C@@H](O)[C@H](CO[Si](C)(C)C)Sc1ccccc1
InChIInChI=1S/C15H26O2SSi/c1-5-9-14(16)15(12-17-19(2,3)4)18-13-10-7-6-8-11-13/h6-8,10-11,14-16H,5,9,12H2,1-4H3/t14-,15+/m1/s1
InChIKeyIJRVDQDRHZPZOD-CABCVRRESA-N
MW298.52 g/mol
LogP4.16
Rot. Bonds8

About (2S,3R)-2-phenylsulfanyl-1-trimethylsilyloxyhexan-3-ol

(2S,3R)-2-phenylsulfanyl-1-trimethylsilyloxyhexan-3-ol (PubChem CID 10891872) has the molecular formula C15H26O2SSi and a molecular weight of 298.52 g/mol. Its IUPAC name is (2S,3R)-2-phenylsulfanyl-1-trimethylsilyloxyhexan-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-phenylsulfanyl-1-trimethylsilyloxyhexan-3-ol
PubChem CID10891872
Molecular FormulaC15H26O2SSi
Molecular Weight298.52 g/mol
Exact Mass298.14
IUPAC Name(2S,3R)-2-phenylsulfanyl-1-trimethylsilyloxyhexan-3-ol
SMILESCCC[C@@H](O)[C@H](CO[Si](C)(C)C)Sc1ccccc1
InChIInChI=1S/C15H26O2SSi/c1-5-9-14(16)15(12-17-19(2,3)4)18-13-10-7-6-8-11-13/h6-8,10-11,14-16H,5,9,12H2,1-4H3/t14-,15+/m1/s1
InChIKeyIJRVDQDRHZPZOD-CABCVRRESA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(4S,5R)-5-phenylsulfanyldodec-7-yn-4-ol
CID 101124003
(2R,3S,4S)-1-chloro-2-methyl-4-phenylsulfanylheptan-3-ol
CID 10492451
(2S,3R)-2-hydroxy-3-phenylsulfanylheptanoic acid
CID 10682384
3-phenylsulfanylbutane-1,2,4-triol
CID 54001701
2-ethoxy-1-phenylsulfanylethanol
CID 71398646
(3R,4S)-3-(phenylsulfanylmethyl)-1-trimethylsilylhept-1-yn-4-ol
CID 101124004
ethyl 2-hydroxy-2-phenylsulfanylacetate
CID 101019068
3-phenylsulfanylhexan-2-one
CID 11117277
tert-butyl (2S,3S)-2-[(R)-hydroxy(phenyl)methyl]-3-phenylsulfanylhexanoate
CID 101130403
(2S,3R)-1-phenylmethoxy-3-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol
CID 101124009
3-(phenylmethoxymethyl)heptan-4-ol
CID 11333834
(2R,3R)-4-phenylmethoxy-2-phenylsulfanylbutane-1,3-diol
CID 11243648

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-phenylsulfanyl-1-trimethylsilyloxyhexan-3-ol?
The IUPAC name of (2S,3R)-2-phenylsulfanyl-1-trimethylsilyloxyhexan-3-ol (CID 10891872) is (2S,3R)-2-phenylsulfanyl-1-trimethylsilyloxyhexan-3-ol.
What is the SMILES notation for (2S,3R)-2-phenylsulfanyl-1-trimethylsilyloxyhexan-3-ol?
The canonical SMILES for (2S,3R)-2-phenylsulfanyl-1-trimethylsilyloxyhexan-3-ol is CCC[C@@H](O)[C@H](CO[Si](C)(C)C)Sc1ccccc1.
What is the InChIKey of (2S,3R)-2-phenylsulfanyl-1-trimethylsilyloxyhexan-3-ol?
The InChIKey is IJRVDQDRHZPZOD-CABCVRRESA-N. The full InChI is InChI=1S/C15H26O2SSi/c1-5-9-14(16)15(12-17-19(2,3)4)18-13-10-7-6-8-11-13/h6-8,10-11,14-16H,5,9,12H2,1-4H3/t14-,15+/m1/s1.
What are the key properties of (2S,3R)-2-phenylsulfanyl-1-trimethylsilyloxyhexan-3-ol?
(2S,3R)-2-phenylsulfanyl-1-trimethylsilyloxyhexan-3-ol has a molecular weight of 298.52 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-phenylsulfanyl-1-trimethylsilyloxyhexan-3-ol is sourced from PubChem (CID 10891872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).