1-phenylmethoxy-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol

C22H28O2SSi — CID 10643759

IUPAC1-phenylmethoxy-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol
SMILESC[Si](C)(C)C#CC(CC(O)COCc1ccccc1)Sc1ccccc1
InChIInChI=1S/C22H28O2SSi/c1-26(2,3)15-14-22(25-21-12-8-5-9-13-21)16-20(23)18-24-17-19-10-6-4-7-11-19/h4-13,20,22-23H,16-18H2,1-3H3
InChIKeyOUKNZPLUAZRZKM-UHFFFAOYSA-N
MW384.62 g/mol
LogP5.00
Rot. Bonds8

About 1-phenylmethoxy-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol

1-phenylmethoxy-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol (PubChem CID 10643759) has the molecular formula C22H28O2SSi and a molecular weight of 384.62 g/mol. Its IUPAC name is 1-phenylmethoxy-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol.

Molecular Properties

Compound Name1-phenylmethoxy-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol
PubChem CID10643759
Molecular FormulaC22H28O2SSi
Molecular Weight384.62 g/mol
Exact Mass384.16
IUPAC Name1-phenylmethoxy-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol
SMILESC[Si](C)(C)C#CC(CC(O)COCc1ccccc1)Sc1ccccc1
InChIInChI=1S/C22H28O2SSi/c1-26(2,3)15-14-22(25-21-12-8-5-9-13-21)16-20(23)18-24-17-19-10-6-4-7-11-19/h4-13,20,22-23H,16-18H2,1-3H3
InChIKeyOUKNZPLUAZRZKM-UHFFFAOYSA-N
XLogP5.00
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 ≤ 55.00
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

1-(4-Fluorophenyl)-4-[(4-methylsulfanylphenyl)methoxy]but-2-yn-1-ol
CID 56968616
1-[(4-Methylsulfanylphenyl)methoxy]non-2-yn-4-ol
CID 56968385
(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylmethoxythiolan-3-ol
CID 10528669
1-Phenylmethoxy-3-phenylsulfanylpropan-2-ol
CID 11300310
1-(4-Fluorophenyl)sulfanyl-2-methyl-3-phenylmethoxypropan-2-ol
CID 86099894
(2R)-1-(4-fluorophenyl)sulfanyl-2-methyl-3-phenylmethoxypropan-2-ol
CID 102152114
6-[Dimethyl(phenyl)silyl]-1-phenylmethoxy-4-phenylsulfanylhex-5-yn-2-ol
CID 10599513
(2Z)-8-methoxy-1-phenyl-2-(4-phenylsulfanylbut-2-ynylidene)oct-3-yn-1-ol
CID 10668149
Phenyl 3-O-benzyl-b-D-thioglucopyranoside
CID 10690030
5-Hydroxy-6-phenylmethoxy-3-phenylsulfanylhexan-2-one
CID 10758831
ethyl 3,4-di-O-benzyl-1-thio-alpha-l-rhamnopyranoside
CID 11406606
2-Methoxy-1-phenyl-2-phenylsulfanylethanol
CID 13215952

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol?
The IUPAC name of 1-phenylmethoxy-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol (CID 10643759) is 1-phenylmethoxy-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol.
What is the SMILES notation for 1-phenylmethoxy-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol?
The canonical SMILES for 1-phenylmethoxy-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol is C[Si](C)(C)C#CC(CC(O)COCc1ccccc1)Sc1ccccc1.
What is the InChIKey of 1-phenylmethoxy-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol?
The InChIKey is OUKNZPLUAZRZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O2SSi/c1-26(2,3)15-14-22(25-21-12-8-5-9-13-21)16-20(23)18-24-17-19-10-6-4-7-11-19/h4-13,20,22-23H,16-18H2,1-3H3.
What are the key properties of 1-phenylmethoxy-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol?
1-phenylmethoxy-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol has a molecular weight of 384.62 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol is sourced from PubChem (CID 10643759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).