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

C15H22OSi — CID 2760369

IUPAC3-[tert-butyl(dimethyl)silyl]-1-phenylprop-2-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)C#CC(O)c1ccccc1
InChIInChI=1S/C15H22OSi/c1-15(2,3)17(4,5)12-11-14(16)13-9-7-6-8-10-13/h6-10,14,16H,1-5H3
InChIKeyNQSGEAWXAFOXEZ-UHFFFAOYSA-N
MW246.43 g/mol
LogP3.77
Rot. Bonds1

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

3-[tert-butyl(dimethyl)silyl]-1-phenylprop-2-yn-1-ol (PubChem CID 2760369) has the molecular formula C15H22OSi and a molecular weight of 246.43 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]-1-phenylprop-2-yn-1-ol.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]-1-phenylprop-2-yn-1-ol
PubChem CID2760369
Molecular FormulaC15H22OSi
Molecular Weight246.43 g/mol
Exact Mass246.14
IUPAC Name3-[tert-butyl(dimethyl)silyl]-1-phenylprop-2-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)C#CC(O)c1ccccc1
InChIInChI=1S/C15H22OSi/c1-15(2,3)17(4,5)12-11-14(16)13-9-7-6-8-10-13/h6-10,14,16H,1-5H3
InChIKeyNQSGEAWXAFOXEZ-UHFFFAOYSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.43
LogP ≤ 53.77
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

4-methyl-1-phenyl-4-trimethylsilylpent-2-yn-1-ol
CID 10243671
tert-butyl-dimethyl-(2-phenylethynyl)silane
CID 11127691
(1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhexa-2,4-diyn-1-ol
CID 135020528
3-phenylprop-1-yne-1,3-diol
CID 67894112
(R)-[tert-butyl(dimethyl)silyl]-phenylmethanol
CID 101051972
(Z,1S,8R)-1,8-diphenyloct-4-en-2,6-diyne-1,8-diol
CID 11029274
4-(1-hydroxy-3-phenylprop-2-ynyl)benzoic acid
CID 19705966
(1R)-2,2-dimethyl-1-phenyl-4-trimethylsilylbut-3-yn-1-ol
CID 134967725
tert-butyl-[(E)-3,4-diphenylbut-3-en-1-ynyl]-dimethylsilane
CID 102080744
3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-1-phenylprop-2-yn-1-ol
CID 101213440
4-hydroxy-4-phenylbut-2-ynoic acid
CID 71381701
3-ethylsulfanyl-1-phenylprop-2-yn-1-ol
CID 130122146

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]-1-phenylprop-2-yn-1-ol?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]-1-phenylprop-2-yn-1-ol (CID 2760369) is 3-[tert-butyl(dimethyl)silyl]-1-phenylprop-2-yn-1-ol.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]-1-phenylprop-2-yn-1-ol?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]-1-phenylprop-2-yn-1-ol is CC(C)(C)[Si](C)(C)C#CC(O)c1ccccc1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]-1-phenylprop-2-yn-1-ol?
The InChIKey is NQSGEAWXAFOXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OSi/c1-15(2,3)17(4,5)12-11-14(16)13-9-7-6-8-10-13/h6-10,14,16H,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]-1-phenylprop-2-yn-1-ol?
3-[tert-butyl(dimethyl)silyl]-1-phenylprop-2-yn-1-ol has a molecular weight of 246.43 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]-1-phenylprop-2-yn-1-ol is sourced from PubChem (CID 2760369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).