(1R,2S)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-yn-1-ol

C14H26OSi — CID 10561949

IUPAC(1R,2S)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-yn-1-ol
SMILESC[C@@H](C#C[Si](C)(C)C)[C@H](O)C1CCCCC1
InChIInChI=1S/C14H26OSi/c1-12(10-11-16(2,3)4)14(15)13-8-6-5-7-9-13/h12-15H,5-9H2,1-4H3/t12-,14-/m0/s1
InChIKeyHIWJIXZJEDGKON-JSGCOSHPSA-N
MW238.45 g/mol
LogP3.44
Rot. Bonds2

About (1R,2S)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-yn-1-ol

(1R,2S)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-yn-1-ol (PubChem CID 10561949) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is (1R,2S)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-yn-1-ol.

Molecular Properties

Compound Name(1R,2S)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-yn-1-ol
PubChem CID10561949
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Name(1R,2S)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-yn-1-ol
SMILESC[C@@H](C#C[Si](C)(C)C)[C@H](O)C1CCCCC1
InChIInChI=1S/C14H26OSi/c1-12(10-11-16(2,3)4)14(15)13-8-6-5-7-9-13/h12-15H,5-9H2,1-4H3/t12-,14-/m0/s1
InChIKeyHIWJIXZJEDGKON-JSGCOSHPSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 53.44
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
alpha-(3-(Trimethylsilyl)-2-propyn-1-yl)cyclohexanemethanol
CID 10867955
1-[2-(Trimethylsilylmethyl)cyclopropyl]heptan-1-ol
CID 14214592
(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
(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
(1S,2R)-1-cyclohexyl-2-methylpent-3-yn-1-ol
CID 10797469
(1R)-1-cyclohexyl-3-trimethylsilylprop-2-yn-1-ol
CID 10846153

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-yn-1-ol?
The IUPAC name of (1R,2S)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-yn-1-ol (CID 10561949) is (1R,2S)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-yn-1-ol.
What is the SMILES notation for (1R,2S)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-yn-1-ol?
The canonical SMILES for (1R,2S)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-yn-1-ol is C[C@@H](C#C[Si](C)(C)C)[C@H](O)C1CCCCC1.
What is the InChIKey of (1R,2S)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-yn-1-ol?
The InChIKey is HIWJIXZJEDGKON-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H26OSi/c1-12(10-11-16(2,3)4)14(15)13-8-6-5-7-9-13/h12-15H,5-9H2,1-4H3/t12-,14-/m0/s1.
What are the key properties of (1R,2S)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-yn-1-ol?
(1R,2S)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-yn-1-ol has a molecular weight of 238.45 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-yn-1-ol is sourced from PubChem (CID 10561949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).