6-[dimethyl(phenyl)silyl]-1-phenylmethoxy-4-phenylsulfanylhex-5-yn-2-ol

C27H30O2SSi — CID 10599513

IUPAC6-[dimethyl(phenyl)silyl]-1-phenylmethoxy-4-phenylsulfanylhex-5-yn-2-ol
SMILESC[Si](C)(C#CC(CC(O)COCc1ccccc1)Sc1ccccc1)c1ccccc1
InChIInChI=1S/C27H30O2SSi/c1-31(2,27-16-10-5-11-17-27)19-18-26(30-25-14-8-4-9-15-25)20-24(28)22-29-21-23-12-6-3-7-13-23/h3-17,24,26,28H,20-22H2,1-2H3
InChIKeyWJCKCTOIOSWEST-UHFFFAOYSA-N
MW446.69 g/mol
LogP5.27
Rot. Bonds9

About 6-[dimethyl(phenyl)silyl]-1-phenylmethoxy-4-phenylsulfanylhex-5-yn-2-ol

6-[dimethyl(phenyl)silyl]-1-phenylmethoxy-4-phenylsulfanylhex-5-yn-2-ol (PubChem CID 10599513) has the molecular formula C27H30O2SSi and a molecular weight of 446.69 g/mol. Its IUPAC name is 6-[dimethyl(phenyl)silyl]-1-phenylmethoxy-4-phenylsulfanylhex-5-yn-2-ol.

Molecular Properties

Compound Name6-[dimethyl(phenyl)silyl]-1-phenylmethoxy-4-phenylsulfanylhex-5-yn-2-ol
PubChem CID10599513
Molecular FormulaC27H30O2SSi
Molecular Weight446.69 g/mol
Exact Mass446.17
IUPAC Name6-[dimethyl(phenyl)silyl]-1-phenylmethoxy-4-phenylsulfanylhex-5-yn-2-ol
SMILESC[Si](C)(C#CC(CC(O)COCc1ccccc1)Sc1ccccc1)c1ccccc1
InChIInChI=1S/C27H30O2SSi/c1-31(2,27-16-10-5-11-17-27)19-18-26(30-25-14-8-4-9-15-25)20-24(28)22-29-21-23-12-6-3-7-13-23/h3-17,24,26,28H,20-22H2,1-2H3
InChIKeyWJCKCTOIOSWEST-UHFFFAOYSA-N
XLogP5.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.69
LogP ≤ 55.27
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

1,2-Bis(phenylmethoxy)-3-phenylthiopropane
CID 4573537
(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylmethoxythiolan-3-ol
CID 10528669
1-Phenylmethoxy-3-phenylsulfanylpropan-2-ol
CID 11300310
(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
(2S)-1-[tert-butyl(diphenyl)silyl]oxy-6-phenylmethoxyhex-4-yn-2-ol
CID 10884993
(2R,3R,4S,5S,6R)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol
CID 11476506
6-Methoxy-1-phenylmethoxy-6-phenylsulfanylhexan-2-ol
CID 13633937
(2R,3S,6R)-2-(phenylmethoxymethyl)-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol
CID 14408001
(2E)-8-methoxy-1-phenyl-2-(4-phenylsulfanylbut-2-ynylidene)oct-3-yn-1-ol
CID 15891794
(E,2R)-1-phenylmethoxy-4-phenylsulfanylbut-3-en-2-ol
CID 15936446
4-Methylphenyl 3,4-di-O-benzyl-1-thio-beta-D-glucopyranoside
CID 52918430

Frequently Asked Questions

What is the IUPAC name of 6-[dimethyl(phenyl)silyl]-1-phenylmethoxy-4-phenylsulfanylhex-5-yn-2-ol?
The IUPAC name of 6-[dimethyl(phenyl)silyl]-1-phenylmethoxy-4-phenylsulfanylhex-5-yn-2-ol (CID 10599513) is 6-[dimethyl(phenyl)silyl]-1-phenylmethoxy-4-phenylsulfanylhex-5-yn-2-ol.
What is the SMILES notation for 6-[dimethyl(phenyl)silyl]-1-phenylmethoxy-4-phenylsulfanylhex-5-yn-2-ol?
The canonical SMILES for 6-[dimethyl(phenyl)silyl]-1-phenylmethoxy-4-phenylsulfanylhex-5-yn-2-ol is C[Si](C)(C#CC(CC(O)COCc1ccccc1)Sc1ccccc1)c1ccccc1.
What is the InChIKey of 6-[dimethyl(phenyl)silyl]-1-phenylmethoxy-4-phenylsulfanylhex-5-yn-2-ol?
The InChIKey is WJCKCTOIOSWEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O2SSi/c1-31(2,27-16-10-5-11-17-27)19-18-26(30-25-14-8-4-9-15-25)20-24(28)22-29-21-23-12-6-3-7-13-23/h3-17,24,26,28H,20-22H2,1-2H3.
What are the key properties of 6-[dimethyl(phenyl)silyl]-1-phenylmethoxy-4-phenylsulfanylhex-5-yn-2-ol?
6-[dimethyl(phenyl)silyl]-1-phenylmethoxy-4-phenylsulfanylhex-5-yn-2-ol has a molecular weight of 446.69 g/mol, XLogP of 5.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[dimethyl(phenyl)silyl]-1-phenylmethoxy-4-phenylsulfanylhex-5-yn-2-ol is sourced from PubChem (CID 10599513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).