(1R)-1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol

C13H24OSi — CID 11673033

IUPAC(1R)-1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol
SMILESC[Si](C)(C)C#CC[C@@H](O)C1CCCCC1
InChIInChI=1S/C13H24OSi/c1-15(2,3)11-7-10-13(14)12-8-5-4-6-9-12/h12-14H,4-6,8-10H2,1-3H3/t13-/m1/s1
InChIKeyLITPQCLWUBJBNR-CYBMUJFWSA-N
MW224.42 g/mol
LogP3.20
Rot. Bonds2

About (1R)-1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol

(1R)-1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol (PubChem CID 11673033) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is (1R)-1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol.

Molecular Properties

Compound Name(1R)-1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol
PubChem CID11673033
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name(1R)-1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol
SMILESC[Si](C)(C)C#CC[C@@H](O)C1CCCCC1
InChIInChI=1S/C13H24OSi/c1-15(2,3)11-7-10-13(14)12-8-5-4-6-9-12/h12-14H,4-6,8-10H2,1-3H3/t13-/m1/s1
InChIKeyLITPQCLWUBJBNR-CYBMUJFWSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-Cyclohexylnona-2,4-diyne-1,6-diol
CID 122187217
1-Cyclohexylundeca-2,4-diyne-1,6-diol
CID 122187220
1-Cyclohexyl-8-methylnona-2,4-diyne-1,6-diol
CID 122187225
alpha-(3-(Trimethylsilyl)-2-propyn-1-yl)cyclohexanemethanol
CID 10867955
(1R)-1-cyclohexyl-3-triethylsilylprop-2-yn-1-ol
CID 10125283
(1S)-1-cyclohexyl-3-trimethylsilylprop-2-yn-1-ol
CID 10536456
alpha-[2-(Trimethylsilyl)ethynyl]cyclohexanemethanol
CID 14026558
1-Cyclohexylhept-2-yn-1-ol
CID 14765192
(1R,2S)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-yn-1-ol
CID 10561949
(3S,4R)-3-methyl-1-trimethylsilyldec-1-yn-4-ol
CID 10657710
(1R,2S)-1-cyclohexyl-2-methylbut-3-yn-1-ol
CID 10678649
(1S,2S)-1-cyclohexyl-2-methyldec-3-yn-1-ol
CID 10705859

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol?
The IUPAC name of (1R)-1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol (CID 11673033) is (1R)-1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol.
What is the SMILES notation for (1R)-1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol?
The canonical SMILES for (1R)-1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol is C[Si](C)(C)C#CC[C@@H](O)C1CCCCC1.
What is the InChIKey of (1R)-1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol?
The InChIKey is LITPQCLWUBJBNR-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H24OSi/c1-15(2,3)11-7-10-13(14)12-8-5-4-6-9-12/h12-14H,4-6,8-10H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol?
(1R)-1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol has a molecular weight of 224.42 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol is sourced from PubChem (CID 11673033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).