3-(3-trimethylsilylphenyl)prop-2-yn-1-ol

C12H16OSi — CID 169485183

IUPAC3-(3-trimethylsilylphenyl)prop-2-yn-1-ol
SMILESC[Si](C)(C)c1cccc(C#CCO)c1
InChIInChI=1S/C12H16OSi/c1-14(2,3)12-8-4-6-11(10-12)7-5-9-13/h4,6,8,10,13H,9H2,1-3H3
InChIKeyHVEQUSXADYFQRY-UHFFFAOYSA-N
MW204.34 g/mol
LogP1.58
Rot. Bonds1

About 3-(3-trimethylsilylphenyl)prop-2-yn-1-ol

3-(3-trimethylsilylphenyl)prop-2-yn-1-ol (PubChem CID 169485183) has the molecular formula C12H16OSi and a molecular weight of 204.34 g/mol. Its IUPAC name is 3-(3-trimethylsilylphenyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(3-trimethylsilylphenyl)prop-2-yn-1-ol
PubChem CID169485183
Molecular FormulaC12H16OSi
Molecular Weight204.34 g/mol
Exact Mass204.10
IUPAC Name3-(3-trimethylsilylphenyl)prop-2-yn-1-ol
SMILESC[Si](C)(C)c1cccc(C#CCO)c1
InChIInChI=1S/C12H16OSi/c1-14(2,3)12-8-4-6-11(10-12)7-5-9-13/h4,6,8,10,13H,9H2,1-3H3
InChIKeyHVEQUSXADYFQRY-UHFFFAOYSA-N
XLogP1.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 51.58
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

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CID 169484709
3-[3-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]prop-2-yn-1-ol
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3-[3-[[ethyl(propan-2-yl)amino]methyl]phenyl]prop-2-yn-1-ol
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1-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-(3-methylphenyl)urea
CID 60804851
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Frequently Asked Questions

What is the IUPAC name of 3-(3-trimethylsilylphenyl)prop-2-yn-1-ol?
The IUPAC name of 3-(3-trimethylsilylphenyl)prop-2-yn-1-ol (CID 169485183) is 3-(3-trimethylsilylphenyl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(3-trimethylsilylphenyl)prop-2-yn-1-ol?
The canonical SMILES for 3-(3-trimethylsilylphenyl)prop-2-yn-1-ol is C[Si](C)(C)c1cccc(C#CCO)c1.
What is the InChIKey of 3-(3-trimethylsilylphenyl)prop-2-yn-1-ol?
The InChIKey is HVEQUSXADYFQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OSi/c1-14(2,3)12-8-4-6-11(10-12)7-5-9-13/h4,6,8,10,13H,9H2,1-3H3.
What are the key properties of 3-(3-trimethylsilylphenyl)prop-2-yn-1-ol?
3-(3-trimethylsilylphenyl)prop-2-yn-1-ol has a molecular weight of 204.34 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-trimethylsilylphenyl)prop-2-yn-1-ol is sourced from PubChem (CID 169485183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).