2-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol

C18H26OSSi — CID 10567599

IUPAC2-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol
SMILESC[Si](C)(C)C#CC(Sc1ccccc1)C1CCCCC1O
InChIInChI=1S/C18H26OSSi/c1-21(2,3)14-13-18(16-11-7-8-12-17(16)19)20-15-9-5-4-6-10-15/h4-6,9-10,16-19H,7-8,11-12H2,1-3H3
InChIKeyFSROFVALIBWRBD-UHFFFAOYSA-N
MW318.56 g/mol
LogP4.58
Rot. Bonds3

About 2-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol

2-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol (PubChem CID 10567599) has the molecular formula C18H26OSSi and a molecular weight of 318.56 g/mol. Its IUPAC name is 2-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol
PubChem CID10567599
Molecular FormulaC18H26OSSi
Molecular Weight318.56 g/mol
Exact Mass318.15
IUPAC Name2-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol
SMILESC[Si](C)(C)C#CC(Sc1ccccc1)C1CCCCC1O
InChIInChI=1S/C18H26OSSi/c1-21(2,3)14-13-18(16-11-7-8-12-17(16)19)20-15-9-5-4-6-10-15/h4-6,9-10,16-19H,7-8,11-12H2,1-3H3
InChIKeyFSROFVALIBWRBD-UHFFFAOYSA-N
XLogP4.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.56
LogP ≤ 54.58
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-Cyclohexyl-2-phenylsulfanylethanol
CID 69954408
5-Phenyl-1-phenylsulfanylpent-1-yn-3-ol
CID 10400850
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,2R)-2-[(Phenylsulfanyl)methyl]cyclohexan-1-ol
CID 12843226
(1R,2S)-1-cyclohexyl-2-phenylsulfanylheptan-1-ol
CID 13394954
(1S,2S)-2-methyl-1-(1-phenylsulfanylcyclohexyl)propane-1,3-diol
CID 13542714
(3R,4S)-4-tert-butylsulfanyl-1,5-diphenylpent-1-yn-3-ol
CID 15257347
(2S,3R)-1-phenyl-2-phenylsulfanylhexan-3-ol
CID 15257351

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol?
The IUPAC name of 2-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol (CID 10567599) is 2-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol.
What is the SMILES notation for 2-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol?
The canonical SMILES for 2-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol is C[Si](C)(C)C#CC(Sc1ccccc1)C1CCCCC1O.
What is the InChIKey of 2-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol?
The InChIKey is FSROFVALIBWRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26OSSi/c1-21(2,3)14-13-18(16-11-7-8-12-17(16)19)20-15-9-5-4-6-10-15/h4-6,9-10,16-19H,7-8,11-12H2,1-3H3.
What are the key properties of 2-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol?
2-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol has a molecular weight of 318.56 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol is sourced from PubChem (CID 10567599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).