4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylbut-3-yn-2-ol

C17H26O2Si — CID 139670556

IUPAC4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C17H26O2Si/c1-16(2,3)20(6,7)19-15-10-8-14(9-11-15)12-13-17(4,5)18/h8-11,18H,1-7H3
InChIKeyBNRKKAPLGPKKOR-UHFFFAOYSA-N
MW290.48 g/mol
LogP4.19
Rot. Bonds2

About 4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylbut-3-yn-2-ol

4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylbut-3-yn-2-ol (PubChem CID 139670556) has the molecular formula C17H26O2Si and a molecular weight of 290.48 g/mol. Its IUPAC name is 4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylbut-3-yn-2-ol
PubChem CID139670556
Molecular FormulaC17H26O2Si
Molecular Weight290.48 g/mol
Exact Mass290.17
IUPAC Name4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C17H26O2Si/c1-16(2,3)20(6,7)19-15-10-8-14(9-11-15)12-13-17(4,5)18/h8-11,18H,1-7H3
InChIKeyBNRKKAPLGPKKOR-UHFFFAOYSA-N
XLogP4.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylbut-3-yn-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylbut-3-yn-2-ol (CID 139670556) is 4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylbut-3-yn-2-ol is CC(C)(O)C#Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of 4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylbut-3-yn-2-ol?
The InChIKey is BNRKKAPLGPKKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2Si/c1-16(2,3)20(6,7)19-15-10-8-14(9-11-15)12-13-17(4,5)18/h8-11,18H,1-7H3.
What are the key properties of 4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylbut-3-yn-2-ol?
4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylbut-3-yn-2-ol has a molecular weight of 290.48 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 139670556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).