(2R)-2-cyclohexyl-1,1,1-trifluoro-5-trimethylsilylpent-4-yn-2-ol

C14H23F3OSi — CID 134968789

IUPAC(2R)-2-cyclohexyl-1,1,1-trifluoro-5-trimethylsilylpent-4-yn-2-ol
SMILESC[Si](C)(C)C#CC[C@@](O)(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C14H23F3OSi/c1-19(2,3)11-7-10-13(18,14(15,16)17)12-8-5-4-6-9-12/h12,18H,4-6,8-10H2,1-3H3/t13-/m1/s1
InChIKeyKBRFCTGBOUXILN-CYBMUJFWSA-N
MW292.42 g/mol
LogP4.13
Rot. Bonds2

About (2R)-2-cyclohexyl-1,1,1-trifluoro-5-trimethylsilylpent-4-yn-2-ol

(2R)-2-cyclohexyl-1,1,1-trifluoro-5-trimethylsilylpent-4-yn-2-ol (PubChem CID 134968789) has the molecular formula C14H23F3OSi and a molecular weight of 292.42 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-1,1,1-trifluoro-5-trimethylsilylpent-4-yn-2-ol.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-1,1,1-trifluoro-5-trimethylsilylpent-4-yn-2-ol
PubChem CID134968789
Molecular FormulaC14H23F3OSi
Molecular Weight292.42 g/mol
Exact Mass292.15
IUPAC Name(2R)-2-cyclohexyl-1,1,1-trifluoro-5-trimethylsilylpent-4-yn-2-ol
SMILESC[Si](C)(C)C#CC[C@@](O)(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C14H23F3OSi/c1-19(2,3)11-7-10-13(18,14(15,16)17)12-8-5-4-6-9-12/h12,18H,4-6,8-10H2,1-3H3/t13-/m1/s1
InChIKeyKBRFCTGBOUXILN-CYBMUJFWSA-N
XLogP4.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.13
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

2-Fluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 70075127
4,4-Difluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 163363990
2-[(1S,2R)-2-trimethylsilylcyclohexyl]propan-2-ol
CID 154723356
2-Cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol
CID 164669382
1-[1,1-Difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-ol
CID 15495761
cis-(1S,2R)-2-methyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 57521559
trans-(1S,2R)-2-ethyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 57521560
trans-(1S,2S)-2-methyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 57521562
cis-(1S,2S)-2-ethyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 57521563
4-Propyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 59309306
cis-(1R,2S)-2-methyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 89643998
trans-(1R,2R)-2-methyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 89644012

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-1,1,1-trifluoro-5-trimethylsilylpent-4-yn-2-ol?
The IUPAC name of (2R)-2-cyclohexyl-1,1,1-trifluoro-5-trimethylsilylpent-4-yn-2-ol (CID 134968789) is (2R)-2-cyclohexyl-1,1,1-trifluoro-5-trimethylsilylpent-4-yn-2-ol.
What is the SMILES notation for (2R)-2-cyclohexyl-1,1,1-trifluoro-5-trimethylsilylpent-4-yn-2-ol?
The canonical SMILES for (2R)-2-cyclohexyl-1,1,1-trifluoro-5-trimethylsilylpent-4-yn-2-ol is C[Si](C)(C)C#CC[C@@](O)(C1CCCCC1)C(F)(F)F.
What is the InChIKey of (2R)-2-cyclohexyl-1,1,1-trifluoro-5-trimethylsilylpent-4-yn-2-ol?
The InChIKey is KBRFCTGBOUXILN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H23F3OSi/c1-19(2,3)11-7-10-13(18,14(15,16)17)12-8-5-4-6-9-12/h12,18H,4-6,8-10H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-2-cyclohexyl-1,1,1-trifluoro-5-trimethylsilylpent-4-yn-2-ol?
(2R)-2-cyclohexyl-1,1,1-trifluoro-5-trimethylsilylpent-4-yn-2-ol has a molecular weight of 292.42 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-1,1,1-trifluoro-5-trimethylsilylpent-4-yn-2-ol is sourced from PubChem (CID 134968789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).