1-[dimethyl(phenyl)silyl]-4,6-dimethyl-3-phenylsulfanylnon-1-yn-5-ol

C25H34OSSi — CID 86205251

IUPAC1-[dimethyl(phenyl)silyl]-4,6-dimethyl-3-phenylsulfanylnon-1-yn-5-ol
SMILESCCCC(C)C(O)C(C)C(C#C[Si](C)(C)c1ccccc1)Sc1ccccc1
InChIInChI=1S/C25H34OSSi/c1-6-13-20(2)25(26)21(3)24(27-22-14-9-7-10-15-22)18-19-28(4,5)23-16-11-8-12-17-23/h7-12,14-17,20-21,24-26H,6,13H2,1-5H3
InChIKeyNVXRIYGWFGFKIK-UHFFFAOYSA-N
MW410.70 g/mol
LogP5.74
Rot. Bonds8

About 1-[dimethyl(phenyl)silyl]-4,6-dimethyl-3-phenylsulfanylnon-1-yn-5-ol

1-[dimethyl(phenyl)silyl]-4,6-dimethyl-3-phenylsulfanylnon-1-yn-5-ol (PubChem CID 86205251) has the molecular formula C25H34OSSi and a molecular weight of 410.70 g/mol. Its IUPAC name is 1-[dimethyl(phenyl)silyl]-4,6-dimethyl-3-phenylsulfanylnon-1-yn-5-ol.

Molecular Properties

Compound Name1-[dimethyl(phenyl)silyl]-4,6-dimethyl-3-phenylsulfanylnon-1-yn-5-ol
PubChem CID86205251
Molecular FormulaC25H34OSSi
Molecular Weight410.70 g/mol
Exact Mass410.21
IUPAC Name1-[dimethyl(phenyl)silyl]-4,6-dimethyl-3-phenylsulfanylnon-1-yn-5-ol
SMILESCCCC(C)C(O)C(C)C(C#C[Si](C)(C)c1ccccc1)Sc1ccccc1
InChIInChI=1S/C25H34OSSi/c1-6-13-20(2)25(26)21(3)24(27-22-14-9-7-10-15-22)18-19-28(4,5)23-16-11-8-12-17-23/h7-12,14-17,20-21,24-26H,6,13H2,1-5H3
InChIKeyNVXRIYGWFGFKIK-UHFFFAOYSA-N
XLogP5.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.70
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(1R)-2-[2,2-bis(phenylsulfanyl)ethyl]-1-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]cyclohexan-1-ol
CID 394595
2-[2,2-Bis(phenylsulfanyl)ethyl]-1-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]cyclohexanol
CID 496744
2-(1-Phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol
CID 10567599
4-Phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol
CID 10779007
3-[Dimethyl(phenyl)silyl]-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol
CID 10787862
(1R,2S)-1-cyclohexyl-2-phenylsulfanylheptan-1-ol
CID 13394954
(2S,3R)-1-phenyl-2-phenylsulfanylhexan-3-ol
CID 15257351
(1R)-1-cyclohexyl-2-phenylsulfanylbut-3-yn-1-ol
CID 134882533
(2S,3S)-1-phenyl-2-phenylsulfanylhexan-3-ol
CID 135000216
(1S,2R)-1-cyclohexyl-2-phenylsulfanylpent-4-en-1-ol
CID 135043545
1,1-difluoro-1-phenylsulfanyl-3-[(1R,4S)-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]propan-2-ol
CID 122399190
(2S,3R)-3-[dimethyl(phenyl)silyl]-5-methyl-2-phenylsulfanylhexan-1-ol
CID 10428506

Frequently Asked Questions

What is the IUPAC name of 1-[dimethyl(phenyl)silyl]-4,6-dimethyl-3-phenylsulfanylnon-1-yn-5-ol?
The IUPAC name of 1-[dimethyl(phenyl)silyl]-4,6-dimethyl-3-phenylsulfanylnon-1-yn-5-ol (CID 86205251) is 1-[dimethyl(phenyl)silyl]-4,6-dimethyl-3-phenylsulfanylnon-1-yn-5-ol.
What is the SMILES notation for 1-[dimethyl(phenyl)silyl]-4,6-dimethyl-3-phenylsulfanylnon-1-yn-5-ol?
The canonical SMILES for 1-[dimethyl(phenyl)silyl]-4,6-dimethyl-3-phenylsulfanylnon-1-yn-5-ol is CCCC(C)C(O)C(C)C(C#C[Si](C)(C)c1ccccc1)Sc1ccccc1.
What is the InChIKey of 1-[dimethyl(phenyl)silyl]-4,6-dimethyl-3-phenylsulfanylnon-1-yn-5-ol?
The InChIKey is NVXRIYGWFGFKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34OSSi/c1-6-13-20(2)25(26)21(3)24(27-22-14-9-7-10-15-22)18-19-28(4,5)23-16-11-8-12-17-23/h7-12,14-17,20-21,24-26H,6,13H2,1-5H3.
What are the key properties of 1-[dimethyl(phenyl)silyl]-4,6-dimethyl-3-phenylsulfanylnon-1-yn-5-ol?
1-[dimethyl(phenyl)silyl]-4,6-dimethyl-3-phenylsulfanylnon-1-yn-5-ol has a molecular weight of 410.70 g/mol, XLogP of 5.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethyl(phenyl)silyl]-4,6-dimethyl-3-phenylsulfanylnon-1-yn-5-ol is sourced from PubChem (CID 86205251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).