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

C17H32O2Si — CID 102055795

IUPAC(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-2-yn-1-ol
SMILESC[C@@H](C#C[C@H](O)C1CCCCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-14(19-20(5,6)17(2,3)4)12-13-16(18)15-10-8-7-9-11-15/h14-16,18H,7-11H2,1-6H3/t14-,16-/m0/s1
InChIKeySDSXBYFUTPSFPY-HOCLYGCPSA-N
MW296.53 g/mol
LogP4.34
Rot. Bonds3

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

(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-2-yn-1-ol (PubChem CID 102055795) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is (1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-2-yn-1-ol.

Molecular Properties

Compound Name(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-2-yn-1-ol
PubChem CID102055795
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-2-yn-1-ol
SMILESC[C@@H](C#C[C@H](O)C1CCCCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-14(19-20(5,6)17(2,3)4)12-13-16(18)15-10-8-7-9-11-15/h14-16,18H,7-11H2,1-6H3/t14-,16-/m0/s1
InChIKeySDSXBYFUTPSFPY-HOCLYGCPSA-N
XLogP4.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.34
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-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
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
(1R)-1-cyclohexyl-3-trimethylsilylprop-2-yn-1-ol
CID 10846153
(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-yn-1-ol
CID 11346596
(1S,2R)-1-cyclohexyl-4-trimethylsilylbut-3-yne-1,2-diol
CID 11608416

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-2-yn-1-ol?
The IUPAC name of (1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-2-yn-1-ol (CID 102055795) is (1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-2-yn-1-ol.
What is the SMILES notation for (1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-2-yn-1-ol?
The canonical SMILES for (1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-2-yn-1-ol is C[C@@H](C#C[C@H](O)C1CCCCC1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-2-yn-1-ol?
The InChIKey is SDSXBYFUTPSFPY-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-14(19-20(5,6)17(2,3)4)12-13-16(18)15-10-8-7-9-11-15/h14-16,18H,7-11H2,1-6H3/t14-,16-/m0/s1.
What are the key properties of (1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-2-yn-1-ol?
(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-2-yn-1-ol has a molecular weight of 296.53 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-2-yn-1-ol is sourced from PubChem (CID 102055795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).