1-(2-methylphenyl)-3-triethylsilylprop-2-yn-1-ol

C16H24OSi — CID 102212351

IUPAC1-(2-methylphenyl)-3-triethylsilylprop-2-yn-1-ol
SMILESCC[Si](C#CC(O)c1ccccc1C)(CC)CC
InChIInChI=1S/C16H24OSi/c1-5-18(6-2,7-3)13-12-16(17)15-11-9-8-10-14(15)4/h8-11,16-17H,5-7H2,1-4H3
InChIKeyBDBLZDJUJUPJKE-UHFFFAOYSA-N
MW260.45 g/mol
LogP4.08
Rot. Bonds4

About 1-(2-methylphenyl)-3-triethylsilylprop-2-yn-1-ol

1-(2-methylphenyl)-3-triethylsilylprop-2-yn-1-ol (PubChem CID 102212351) has the molecular formula C16H24OSi and a molecular weight of 260.45 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-triethylsilylprop-2-yn-1-ol.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-triethylsilylprop-2-yn-1-ol
PubChem CID102212351
Molecular FormulaC16H24OSi
Molecular Weight260.45 g/mol
Exact Mass260.16
IUPAC Name1-(2-methylphenyl)-3-triethylsilylprop-2-yn-1-ol
SMILESCC[Si](C#CC(O)c1ccccc1C)(CC)CC
InChIInChI=1S/C16H24OSi/c1-5-18(6-2,7-3)13-12-16(17)15-11-9-8-10-14(15)4/h8-11,16-17H,5-7H2,1-4H3
InChIKeyBDBLZDJUJUPJKE-UHFFFAOYSA-N
XLogP4.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 54.08
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

(1R)-1-(2-methylphenyl)-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol
CID 102291895
(1S)-1-(2-methylphenyl)-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol
CID 102291896
methyl 4-hydroxy-4-(2-methylphenyl)but-2-ynoate
CID 86096725
(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682
2-[hydroxy-(2-methylphenyl)methyl]butanenitrile
CID 79136882
1-methyl-2-(3-methylpentan-2-yl)benzene
CID 23555669
methyl (2S,3R)-2,3-dihydroxy-3-(2-methylphenyl)propanoate
CID 90018572
3-chloro-1-(2-methylphenyl)propane-1,2-diol
CID 171861461
dimethyl 2-(2-methylphenyl)propanedioate
CID 11276084
1,2-bis(2-methylphenyl)ethanol
CID 60798292
2-(methylamino)-1-(2-methylphenyl)ethanol
CID 14888492
(1R)-1-[2-[(1R)-1-hydroxy-3-phenylprop-2-ynyl]phenyl]-3-phenylprop-2-yn-1-ol
CID 95988930

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-triethylsilylprop-2-yn-1-ol?
The IUPAC name of 1-(2-methylphenyl)-3-triethylsilylprop-2-yn-1-ol (CID 102212351) is 1-(2-methylphenyl)-3-triethylsilylprop-2-yn-1-ol.
What is the SMILES notation for 1-(2-methylphenyl)-3-triethylsilylprop-2-yn-1-ol?
The canonical SMILES for 1-(2-methylphenyl)-3-triethylsilylprop-2-yn-1-ol is CC[Si](C#CC(O)c1ccccc1C)(CC)CC.
What is the InChIKey of 1-(2-methylphenyl)-3-triethylsilylprop-2-yn-1-ol?
The InChIKey is BDBLZDJUJUPJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24OSi/c1-5-18(6-2,7-3)13-12-16(17)15-11-9-8-10-14(15)4/h8-11,16-17H,5-7H2,1-4H3.
What are the key properties of 1-(2-methylphenyl)-3-triethylsilylprop-2-yn-1-ol?
1-(2-methylphenyl)-3-triethylsilylprop-2-yn-1-ol has a molecular weight of 260.45 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-triethylsilylprop-2-yn-1-ol is sourced from PubChem (CID 102212351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).