(2R,3R)-1-phenylmethoxy-3-(phenylsulfanylmethyl)-5-trimethylsilylpent-4-yn-2-ol

C22H28O2SSi — CID 101124008

IUPAC(2R,3R)-1-phenylmethoxy-3-(phenylsulfanylmethyl)-5-trimethylsilylpent-4-yn-2-ol
SMILESC[Si](C)(C)C#C[C@@H](CSc1ccccc1)[C@@H](O)COCc1ccccc1
InChIInChI=1S/C22H28O2SSi/c1-26(2,3)15-14-20(18-25-21-12-8-5-9-13-21)22(23)17-24-16-19-10-6-4-7-11-19/h4-13,20,22-23H,16-18H2,1-3H3/t20-,22-/m0/s1
InChIKeyILXSWAULJZQAGI-UNMCSNQZSA-N
MW384.62 g/mol
LogP4.85
Rot. Bonds8

About (2R,3R)-1-phenylmethoxy-3-(phenylsulfanylmethyl)-5-trimethylsilylpent-4-yn-2-ol

(2R,3R)-1-phenylmethoxy-3-(phenylsulfanylmethyl)-5-trimethylsilylpent-4-yn-2-ol (PubChem CID 101124008) has the molecular formula C22H28O2SSi and a molecular weight of 384.62 g/mol. Its IUPAC name is (2R,3R)-1-phenylmethoxy-3-(phenylsulfanylmethyl)-5-trimethylsilylpent-4-yn-2-ol.

Molecular Properties

Compound Name(2R,3R)-1-phenylmethoxy-3-(phenylsulfanylmethyl)-5-trimethylsilylpent-4-yn-2-ol
PubChem CID101124008
Molecular FormulaC22H28O2SSi
Molecular Weight384.62 g/mol
Exact Mass384.16
IUPAC Name(2R,3R)-1-phenylmethoxy-3-(phenylsulfanylmethyl)-5-trimethylsilylpent-4-yn-2-ol
SMILESC[Si](C)(C)C#C[C@@H](CSc1ccccc1)[C@@H](O)COCc1ccccc1
InChIInChI=1S/C22H28O2SSi/c1-26(2,3)15-14-20(18-25-21-12-8-5-9-13-21)22(23)17-24-16-19-10-6-4-7-11-19/h4-13,20,22-23H,16-18H2,1-3H3/t20-,22-/m0/s1
InChIKeyILXSWAULJZQAGI-UNMCSNQZSA-N
XLogP4.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.62
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-3-(phenylsulfanylmethyl)-1-trimethylsilylhept-1-yn-4-ol
CID 101124004
(2R,3R)-1-phenylmethoxy-4-phenylsulfanylbutane-2,3-diol
CID 11130512
(2S,3R)-1-phenylmethoxy-3-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol
CID 101124009
5-phenylmethoxy-1-trimethylsilylpent-1-yn-3-ol
CID 57078353
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
1-phenylmethoxy-6-phenylsulfanylhexan-2-ol
CID 151451613
4-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-3-yn-2-ol
CID 10662769
(2R,3R)-4-phenylmethoxy-2-phenylsulfanylbutane-1,3-diol
CID 11243648
(3R,5R)-5-methyl-1-phenylmethoxy-7-trimethylsilylhept-6-yn-3-ol
CID 11456085
(1R,2R,3R)-1-[dimethyl(phenyl)silyl]-4-phenylmethoxybutane-1,2,3-triol
CID 134901122
(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
CID 13112308
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-phenylmethoxy-3-(phenylsulfanylmethyl)-5-trimethylsilylpent-4-yn-2-ol?
The IUPAC name of (2R,3R)-1-phenylmethoxy-3-(phenylsulfanylmethyl)-5-trimethylsilylpent-4-yn-2-ol (CID 101124008) is (2R,3R)-1-phenylmethoxy-3-(phenylsulfanylmethyl)-5-trimethylsilylpent-4-yn-2-ol.
What is the SMILES notation for (2R,3R)-1-phenylmethoxy-3-(phenylsulfanylmethyl)-5-trimethylsilylpent-4-yn-2-ol?
The canonical SMILES for (2R,3R)-1-phenylmethoxy-3-(phenylsulfanylmethyl)-5-trimethylsilylpent-4-yn-2-ol is C[Si](C)(C)C#C[C@@H](CSc1ccccc1)[C@@H](O)COCc1ccccc1.
What is the InChIKey of (2R,3R)-1-phenylmethoxy-3-(phenylsulfanylmethyl)-5-trimethylsilylpent-4-yn-2-ol?
The InChIKey is ILXSWAULJZQAGI-UNMCSNQZSA-N. The full InChI is InChI=1S/C22H28O2SSi/c1-26(2,3)15-14-20(18-25-21-12-8-5-9-13-21)22(23)17-24-16-19-10-6-4-7-11-19/h4-13,20,22-23H,16-18H2,1-3H3/t20-,22-/m0/s1.
What are the key properties of (2R,3R)-1-phenylmethoxy-3-(phenylsulfanylmethyl)-5-trimethylsilylpent-4-yn-2-ol?
(2R,3R)-1-phenylmethoxy-3-(phenylsulfanylmethyl)-5-trimethylsilylpent-4-yn-2-ol has a molecular weight of 384.62 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-phenylmethoxy-3-(phenylsulfanylmethyl)-5-trimethylsilylpent-4-yn-2-ol is sourced from PubChem (CID 101124008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).