2-[2-tri(propan-2-yl)silylethynyl]phenol

C17H26OSi — CID 25108056

IUPAC2-[2-tri(propan-2-yl)silylethynyl]phenol
SMILESCC(C)[Si](C#Cc1ccccc1O)(C(C)C)C(C)C
InChIInChI=1S/C17H26OSi/c1-13(2)19(14(3)4,15(5)6)12-11-16-9-7-8-10-17(16)18/h7-10,13-15,18H,1-6H3
InChIKeyZUIMTGHBNKQRQB-UHFFFAOYSA-N
MW274.48 g/mol
LogP4.96
Rot. Bonds3

About 2-[2-tri(propan-2-yl)silylethynyl]phenol

2-[2-tri(propan-2-yl)silylethynyl]phenol (PubChem CID 25108056) has the molecular formula C17H26OSi and a molecular weight of 274.48 g/mol. Its IUPAC name is 2-[2-tri(propan-2-yl)silylethynyl]phenol.

Molecular Properties

Compound Name2-[2-tri(propan-2-yl)silylethynyl]phenol
PubChem CID25108056
Molecular FormulaC17H26OSi
Molecular Weight274.48 g/mol
Exact Mass274.18
IUPAC Name2-[2-tri(propan-2-yl)silylethynyl]phenol
SMILESCC(C)[Si](C#Cc1ccccc1O)(C(C)C)C(C)C
InChIInChI=1S/C17H26OSi/c1-13(2)19(14(3)4,15(5)6)12-11-16-9-7-8-10-17(16)18/h7-10,13-15,18H,1-6H3
InChIKeyZUIMTGHBNKQRQB-UHFFFAOYSA-N
XLogP4.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 54.96
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 2-[2-tri(propan-2-yl)silylethynyl]phenol?
The IUPAC name of 2-[2-tri(propan-2-yl)silylethynyl]phenol (CID 25108056) is 2-[2-tri(propan-2-yl)silylethynyl]phenol.
What is the SMILES notation for 2-[2-tri(propan-2-yl)silylethynyl]phenol?
The canonical SMILES for 2-[2-tri(propan-2-yl)silylethynyl]phenol is CC(C)[Si](C#Cc1ccccc1O)(C(C)C)C(C)C.
What is the InChIKey of 2-[2-tri(propan-2-yl)silylethynyl]phenol?
The InChIKey is ZUIMTGHBNKQRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26OSi/c1-13(2)19(14(3)4,15(5)6)12-11-16-9-7-8-10-17(16)18/h7-10,13-15,18H,1-6H3.
What are the key properties of 2-[2-tri(propan-2-yl)silylethynyl]phenol?
2-[2-tri(propan-2-yl)silylethynyl]phenol has a molecular weight of 274.48 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-tri(propan-2-yl)silylethynyl]phenol is sourced from PubChem (CID 25108056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).