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

C18H26OSSi — CID 102170699

IUPAC1-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol
SMILESC[Si](C)(C)C#CC(Sc1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C18H26OSSi/c1-21(2,3)15-12-17(18(19)13-8-5-9-14-18)20-16-10-6-4-7-11-16/h4,6-7,10-11,17,19H,5,8-9,13-14H2,1-3H3
InChIKeyJJKODAQBOYURNM-UHFFFAOYSA-N
MW318.56 g/mol
LogP4.72
Rot. Bonds3

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

1-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol (PubChem CID 102170699) has the molecular formula C18H26OSSi and a molecular weight of 318.56 g/mol. Its IUPAC name is 1-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol
PubChem CID102170699
Molecular FormulaC18H26OSSi
Molecular Weight318.56 g/mol
Exact Mass318.15
IUPAC Name1-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol
SMILESC[Si](C)(C)C#CC(Sc1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C18H26OSSi/c1-21(2,3)15-12-17(18(19)13-8-5-9-14-18)20-16-10-6-4-7-11-16/h4,6-7,10-11,17,19H,5,8-9,13-14H2,1-3H3
InChIKeyJJKODAQBOYURNM-UHFFFAOYSA-N
XLogP4.72
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 ≤ 54.72
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'}

Analyze 1-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1-hydroxycyclohexyl)-phenylsulfanylmethyl]cyclohexan-1-ol
CID 15445550
1-(2-hydroxy-2-methyl-1-phenylsulfanylpropyl)cyclohexan-1-ol
CID 15445548
1-(1-chloro-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol
CID 10955814
(2S)-N-(1-cyanocyclohexyl)-2-phenylsulfanylpropanamide
CID 7821049
N-benzyl-1-(2-trimethylsilylethynyl)cyclohexan-1-amine
CID 11243123
1-(1-hydroxy-3-phenylprop-2-ynyl)cyclobutan-1-ol
CID 141489932
1-[(R)-amino(phenyl)methyl]cycloheptan-1-ol
CID 22084843
1-phenyl-N-(2-phenylethyl)-3-trimethylsilylprop-2-yn-1-amine
CID 135004228
2-(1-hydroxycyclohexyl)-N-methyl-2-phenylacetamide
CID 70447762
1-[(3-phenylprop-2-ynylamino)methyl]cyclohexan-1-ol
CID 65108630
1-[(2-phenylsulfanylethylamino)methyl]cycloheptan-1-ol
CID 60710821
(3R,4S)-3-(phenylsulfanylmethyl)-1-trimethylsilylhept-1-yn-4-ol
CID 101124004

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol?
The IUPAC name of 1-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol (CID 102170699) is 1-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol?
The canonical SMILES for 1-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol is C[Si](C)(C)C#CC(Sc1ccccc1)C1(O)CCCCC1.
What is the InChIKey of 1-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol?
The InChIKey is JJKODAQBOYURNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26OSSi/c1-21(2,3)15-12-17(18(19)13-8-5-9-14-18)20-16-10-6-4-7-11-16/h4,6-7,10-11,17,19H,5,8-9,13-14H2,1-3H3.
What are the key properties of 1-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol?
1-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol has a molecular weight of 318.56 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol is sourced from PubChem (CID 102170699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).