(1S)-3-[tert-butyl(dimethyl)silyl]-1-cyclohexylprop-2-yn-1-ol

C15H28OSi — CID 124629082

IUPAC(1S)-3-[tert-butyl(dimethyl)silyl]-1-cyclohexylprop-2-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)C#C[C@@H](O)C1CCCCC1
InChIInChI=1S/C15H28OSi/c1-15(2,3)17(4,5)12-11-14(16)13-9-7-6-8-10-13/h13-14,16H,6-10H2,1-5H3/t14-/m1/s1
InChIKeyFQOJQYFOLYYDTP-CQSZACIVSA-N
MW252.47 g/mol
LogP3.98
Rot. Bonds1

About (1S)-3-[tert-butyl(dimethyl)silyl]-1-cyclohexylprop-2-yn-1-ol

(1S)-3-[tert-butyl(dimethyl)silyl]-1-cyclohexylprop-2-yn-1-ol (PubChem CID 124629082) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is (1S)-3-[tert-butyl(dimethyl)silyl]-1-cyclohexylprop-2-yn-1-ol.

Molecular Properties

Compound Name(1S)-3-[tert-butyl(dimethyl)silyl]-1-cyclohexylprop-2-yn-1-ol
PubChem CID124629082
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name(1S)-3-[tert-butyl(dimethyl)silyl]-1-cyclohexylprop-2-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)C#C[C@@H](O)C1CCCCC1
InChIInChI=1S/C15H28OSi/c1-15(2,3)17(4,5)12-11-14(16)13-9-7-6-8-10-13/h13-14,16H,6-10H2,1-5H3/t14-/m1/s1
InChIKeyFQOJQYFOLYYDTP-CQSZACIVSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 53.98
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 (1S)-3-[tert-butyl(dimethyl)silyl]-1-cyclohexylprop-2-yn-1-ol?
The IUPAC name of (1S)-3-[tert-butyl(dimethyl)silyl]-1-cyclohexylprop-2-yn-1-ol (CID 124629082) is (1S)-3-[tert-butyl(dimethyl)silyl]-1-cyclohexylprop-2-yn-1-ol.
What is the SMILES notation for (1S)-3-[tert-butyl(dimethyl)silyl]-1-cyclohexylprop-2-yn-1-ol?
The canonical SMILES for (1S)-3-[tert-butyl(dimethyl)silyl]-1-cyclohexylprop-2-yn-1-ol is CC(C)(C)[Si](C)(C)C#C[C@@H](O)C1CCCCC1.
What is the InChIKey of (1S)-3-[tert-butyl(dimethyl)silyl]-1-cyclohexylprop-2-yn-1-ol?
The InChIKey is FQOJQYFOLYYDTP-CQSZACIVSA-N. The full InChI is InChI=1S/C15H28OSi/c1-15(2,3)17(4,5)12-11-14(16)13-9-7-6-8-10-13/h13-14,16H,6-10H2,1-5H3/t14-/m1/s1.
What are the key properties of (1S)-3-[tert-butyl(dimethyl)silyl]-1-cyclohexylprop-2-yn-1-ol?
(1S)-3-[tert-butyl(dimethyl)silyl]-1-cyclohexylprop-2-yn-1-ol has a molecular weight of 252.47 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-[tert-butyl(dimethyl)silyl]-1-cyclohexylprop-2-yn-1-ol is sourced from PubChem (CID 124629082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).