1-phenyl-3-trimethylsilylprop-2-yn-1-ol

C12H16OSi — CID 2760416

IUPAC1-phenyl-3-trimethylsilylprop-2-yn-1-ol
SMILESC[Si](C)(C)C#CC(O)c1ccccc1
InChIInChI=1S/C12H16OSi/c1-14(2,3)10-9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,1-3H3
InChIKeyRVTDALNDYLDVMN-UHFFFAOYSA-N
MW204.34 g/mol
LogP2.60
Rot. Bonds1

About 1-phenyl-3-trimethylsilylprop-2-yn-1-ol

1-phenyl-3-trimethylsilylprop-2-yn-1-ol (PubChem CID 2760416) has the molecular formula C12H16OSi and a molecular weight of 204.34 g/mol. Its IUPAC name is 1-phenyl-3-trimethylsilylprop-2-yn-1-ol.

Molecular Properties

Compound Name1-phenyl-3-trimethylsilylprop-2-yn-1-ol
PubChem CID2760416
Molecular FormulaC12H16OSi
Molecular Weight204.34 g/mol
Exact Mass204.10
IUPAC Name1-phenyl-3-trimethylsilylprop-2-yn-1-ol
SMILESC[Si](C)(C)C#CC(O)c1ccccc1
InChIInChI=1S/C12H16OSi/c1-14(2,3)10-9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,1-3H3
InChIKeyRVTDALNDYLDVMN-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
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-Phenylethanol
CID 7409
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
1-Phenyl-1,2-ethanediol
CID 7149
p,alpha-DIMETHYLBENZYL ALCOHOL
CID 10817
1-Phenylethanol, (S)-
CID 443135
1-Phenylethanol, (R)-
CID 637516
alpha-Ethynylbenzenemethanol
CID 20155
alpha-Cyclohexylbenzenemethanol
CID 95668
(1R)-(-)-1-Phenylethane-1,2-diol
CID 2724621
fenipentol, (S)-
CID 6992754
1-Phenylbutan-1-ol
CID 179386

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-trimethylsilylprop-2-yn-1-ol?
The IUPAC name of 1-phenyl-3-trimethylsilylprop-2-yn-1-ol (CID 2760416) is 1-phenyl-3-trimethylsilylprop-2-yn-1-ol.
What is the SMILES notation for 1-phenyl-3-trimethylsilylprop-2-yn-1-ol?
The canonical SMILES for 1-phenyl-3-trimethylsilylprop-2-yn-1-ol is C[Si](C)(C)C#CC(O)c1ccccc1.
What is the InChIKey of 1-phenyl-3-trimethylsilylprop-2-yn-1-ol?
The InChIKey is RVTDALNDYLDVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OSi/c1-14(2,3)10-9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,1-3H3.
What are the key properties of 1-phenyl-3-trimethylsilylprop-2-yn-1-ol?
1-phenyl-3-trimethylsilylprop-2-yn-1-ol has a molecular weight of 204.34 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-trimethylsilylprop-2-yn-1-ol is sourced from PubChem (CID 2760416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).