2-[3-[dimethyl(phenyl)silyl]-1-phenylsulfanylprop-2-ynyl]cyclohexan-1-ol

C23H28OSSi — CID 10691225

IUPAC2-[3-[dimethyl(phenyl)silyl]-1-phenylsulfanylprop-2-ynyl]cyclohexan-1-ol
SMILESC[Si](C)(C#CC(Sc1ccccc1)C1CCCCC1O)c1ccccc1
InChIInChI=1S/C23H28OSSi/c1-26(2,20-13-7-4-8-14-20)18-17-23(21-15-9-10-16-22(21)24)25-19-11-5-3-6-12-19/h3-8,11-14,21-24H,9-10,15-16H2,1-2H3
InChIKeyOUYPMDYEMSXPFQ-UHFFFAOYSA-N
MW380.63 g/mol
LogP4.86
Rot. Bonds4

About 2-[3-[dimethyl(phenyl)silyl]-1-phenylsulfanylprop-2-ynyl]cyclohexan-1-ol

2-[3-[dimethyl(phenyl)silyl]-1-phenylsulfanylprop-2-ynyl]cyclohexan-1-ol (PubChem CID 10691225) has the molecular formula C23H28OSSi and a molecular weight of 380.63 g/mol. Its IUPAC name is 2-[3-[dimethyl(phenyl)silyl]-1-phenylsulfanylprop-2-ynyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[3-[dimethyl(phenyl)silyl]-1-phenylsulfanylprop-2-ynyl]cyclohexan-1-ol
PubChem CID10691225
Molecular FormulaC23H28OSSi
Molecular Weight380.63 g/mol
Exact Mass380.16
IUPAC Name2-[3-[dimethyl(phenyl)silyl]-1-phenylsulfanylprop-2-ynyl]cyclohexan-1-ol
SMILESC[Si](C)(C#CC(Sc1ccccc1)C1CCCCC1O)c1ccccc1
InChIInChI=1S/C23H28OSSi/c1-26(2,20-13-7-4-8-14-20)18-17-23(21-15-9-10-16-22(21)24)25-19-11-5-3-6-12-19/h3-8,11-14,21-24H,9-10,15-16H2,1-2H3
InChIKeyOUYPMDYEMSXPFQ-UHFFFAOYSA-N
XLogP4.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.63
LogP ≤ 54.86
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

3-[Dimethyl-(1-phenylsulfanylcyclopropyl)silyl]-3-phenylpropan-1-ol
CID 11759668
(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
(1R,2R)-2-[(Phenylsulfanyl)methyl]cyclohexan-1-ol
CID 12843226
(1R,2S)-1-cyclohexyl-2-phenylsulfanylheptan-1-ol
CID 13394954
(2S,3R)-1-phenyl-2-phenylsulfanylhexan-3-ol
CID 15257351
1-[Dimethyl(phenyl)silyl]-4,6-dimethyl-3-phenylsulfanylnon-1-yn-5-ol
CID 86205251
(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-3-phenyl-2-phenylsulfanylpropan-1-ol
CID 135032118
(1S,2R)-1-cyclohexyl-2-phenylsulfanylpent-4-en-1-ol
CID 135043545

Frequently Asked Questions

What is the IUPAC name of 2-[3-[dimethyl(phenyl)silyl]-1-phenylsulfanylprop-2-ynyl]cyclohexan-1-ol?
The IUPAC name of 2-[3-[dimethyl(phenyl)silyl]-1-phenylsulfanylprop-2-ynyl]cyclohexan-1-ol (CID 10691225) is 2-[3-[dimethyl(phenyl)silyl]-1-phenylsulfanylprop-2-ynyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[3-[dimethyl(phenyl)silyl]-1-phenylsulfanylprop-2-ynyl]cyclohexan-1-ol?
The canonical SMILES for 2-[3-[dimethyl(phenyl)silyl]-1-phenylsulfanylprop-2-ynyl]cyclohexan-1-ol is C[Si](C)(C#CC(Sc1ccccc1)C1CCCCC1O)c1ccccc1.
What is the InChIKey of 2-[3-[dimethyl(phenyl)silyl]-1-phenylsulfanylprop-2-ynyl]cyclohexan-1-ol?
The InChIKey is OUYPMDYEMSXPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28OSSi/c1-26(2,20-13-7-4-8-14-20)18-17-23(21-15-9-10-16-22(21)24)25-19-11-5-3-6-12-19/h3-8,11-14,21-24H,9-10,15-16H2,1-2H3.
What are the key properties of 2-[3-[dimethyl(phenyl)silyl]-1-phenylsulfanylprop-2-ynyl]cyclohexan-1-ol?
2-[3-[dimethyl(phenyl)silyl]-1-phenylsulfanylprop-2-ynyl]cyclohexan-1-ol has a molecular weight of 380.63 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[dimethyl(phenyl)silyl]-1-phenylsulfanylprop-2-ynyl]cyclohexan-1-ol is sourced from PubChem (CID 10691225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).