(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-yn-1-ol

C16H30O2Si — CID 11346596

IUPAC(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC#C[C@H](O)C1CCCCC1
InChIInChI=1S/C16H30O2Si/c1-16(2,3)19(4,5)18-13-9-12-15(17)14-10-7-6-8-11-14/h14-15,17H,6-8,10-11,13H2,1-5H3/t15-/m0/s1
InChIKeyPVWXJWQMVIKFGU-HNNXBMFYSA-N
MW282.50 g/mol
LogP3.95
Rot. Bonds3

About (1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-yn-1-ol

(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-yn-1-ol (PubChem CID 11346596) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-yn-1-ol.

Molecular Properties

Compound Name(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-yn-1-ol
PubChem CID11346596
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC#C[C@H](O)C1CCCCC1
InChIInChI=1S/C16H30O2Si/c1-16(2,3)19(4,5)18-13-9-12-15(17)14-10-7-6-8-11-14/h14-15,17H,6-8,10-11,13H2,1-5H3/t15-/m0/s1
InChIKeyPVWXJWQMVIKFGU-HNNXBMFYSA-N
XLogP3.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 53.95
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

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
1-Cyclohexylpentadeca-2,4-diyne-1,6-diol
CID 122187222
rac-((1R,2S)-2-((tert-butyldimethylsilyl)oxy)cyclohexyl)methanol
CID 14172798
alpha-(3-(Trimethylsilyl)-2-propyn-1-yl)cyclohexanemethanol
CID 10867955
tert-butyl-[(1R,2R)-2-hex-2-ynylcyclohexyl]oxy-dimethylsilane
CID 134978254
(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
(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

Frequently Asked Questions

What is the IUPAC name of (1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-yn-1-ol?
The IUPAC name of (1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-yn-1-ol (CID 11346596) is (1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-yn-1-ol.
What is the SMILES notation for (1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-yn-1-ol?
The canonical SMILES for (1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-yn-1-ol is CC(C)(C)[Si](C)(C)OCC#C[C@H](O)C1CCCCC1.
What is the InChIKey of (1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-yn-1-ol?
The InChIKey is PVWXJWQMVIKFGU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-16(2,3)19(4,5)18-13-9-12-15(17)14-10-7-6-8-11-14/h14-15,17H,6-8,10-11,13H2,1-5H3/t15-/m0/s1.
What are the key properties of (1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-yn-1-ol?
(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-yn-1-ol has a molecular weight of 282.50 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-yn-1-ol is sourced from PubChem (CID 11346596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).