(1R)-2,2-dimethyl-1-phenyl-4-trimethylsilylbut-3-yn-1-ol

C15H22OSi — CID 134967725

IUPAC(1R)-2,2-dimethyl-1-phenyl-4-trimethylsilylbut-3-yn-1-ol
SMILESCC(C)(C#C[Si](C)(C)C)[C@H](O)c1ccccc1
InChIInChI=1S/C15H22OSi/c1-15(2,11-12-17(3,4)5)14(16)13-9-7-6-8-10-13/h6-10,14,16H,1-5H3/t14-/m1/s1
InChIKeyPDIXTGYPSOKZKX-CQSZACIVSA-N
MW246.43 g/mol
LogP3.63
Rot. Bonds2

About (1R)-2,2-dimethyl-1-phenyl-4-trimethylsilylbut-3-yn-1-ol

(1R)-2,2-dimethyl-1-phenyl-4-trimethylsilylbut-3-yn-1-ol (PubChem CID 134967725) has the molecular formula C15H22OSi and a molecular weight of 246.43 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-1-phenyl-4-trimethylsilylbut-3-yn-1-ol.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-1-phenyl-4-trimethylsilylbut-3-yn-1-ol
PubChem CID134967725
Molecular FormulaC15H22OSi
Molecular Weight246.43 g/mol
Exact Mass246.14
IUPAC Name(1R)-2,2-dimethyl-1-phenyl-4-trimethylsilylbut-3-yn-1-ol
SMILESCC(C)(C#C[Si](C)(C)C)[C@H](O)c1ccccc1
InChIInChI=1S/C15H22OSi/c1-15(2,11-12-17(3,4)5)14(16)13-9-7-6-8-10-13/h6-10,14,16H,1-5H3/t14-/m1/s1
InChIKeyPDIXTGYPSOKZKX-CQSZACIVSA-N
XLogP3.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.43
LogP ≤ 53.63
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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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-1-phenyl-4-trimethylsilylbut-3-yn-1-ol?
The IUPAC name of (1R)-2,2-dimethyl-1-phenyl-4-trimethylsilylbut-3-yn-1-ol (CID 134967725) is (1R)-2,2-dimethyl-1-phenyl-4-trimethylsilylbut-3-yn-1-ol.
What is the SMILES notation for (1R)-2,2-dimethyl-1-phenyl-4-trimethylsilylbut-3-yn-1-ol?
The canonical SMILES for (1R)-2,2-dimethyl-1-phenyl-4-trimethylsilylbut-3-yn-1-ol is CC(C)(C#C[Si](C)(C)C)[C@H](O)c1ccccc1.
What is the InChIKey of (1R)-2,2-dimethyl-1-phenyl-4-trimethylsilylbut-3-yn-1-ol?
The InChIKey is PDIXTGYPSOKZKX-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22OSi/c1-15(2,11-12-17(3,4)5)14(16)13-9-7-6-8-10-13/h6-10,14,16H,1-5H3/t14-/m1/s1.
What are the key properties of (1R)-2,2-dimethyl-1-phenyl-4-trimethylsilylbut-3-yn-1-ol?
(1R)-2,2-dimethyl-1-phenyl-4-trimethylsilylbut-3-yn-1-ol has a molecular weight of 246.43 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-1-phenyl-4-trimethylsilylbut-3-yn-1-ol is sourced from PubChem (CID 134967725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).