4-di(propan-2-yl)silyloxy-2-ethylphenol

C14H24O2Si — CID 139213599

IUPAC4-di(propan-2-yl)silyloxy-2-ethylphenol
SMILESCCc1cc(O[SiH](C(C)C)C(C)C)ccc1O
InChIInChI=1S/C14H24O2Si/c1-6-12-9-13(7-8-14(12)15)16-17(10(2)3)11(4)5/h7-11,15,17H,6H2,1-5H3
InChIKeyXFXVGTSVOUTKTF-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.88
Rot. Bonds5

About 4-di(propan-2-yl)silyloxy-2-ethylphenol

4-di(propan-2-yl)silyloxy-2-ethylphenol (PubChem CID 139213599) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is 4-di(propan-2-yl)silyloxy-2-ethylphenol.

Molecular Properties

Compound Name4-di(propan-2-yl)silyloxy-2-ethylphenol
PubChem CID139213599
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Name4-di(propan-2-yl)silyloxy-2-ethylphenol
SMILESCCc1cc(O[SiH](C(C)C)C(C)C)ccc1O
InChIInChI=1S/C14H24O2Si/c1-6-12-9-13(7-8-14(12)15)16-17(10(2)3)11(4)5/h7-11,15,17H,6H2,1-5H3
InChIKeyXFXVGTSVOUTKTF-UHFFFAOYSA-N
XLogP3.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-di(propan-2-yl)silyloxy-2-ethylphenol 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-di(propan-2-yl)silyloxy-2-ethylphenol?
The IUPAC name of 4-di(propan-2-yl)silyloxy-2-ethylphenol (CID 139213599) is 4-di(propan-2-yl)silyloxy-2-ethylphenol.
What is the SMILES notation for 4-di(propan-2-yl)silyloxy-2-ethylphenol?
The canonical SMILES for 4-di(propan-2-yl)silyloxy-2-ethylphenol is CCc1cc(O[SiH](C(C)C)C(C)C)ccc1O.
What is the InChIKey of 4-di(propan-2-yl)silyloxy-2-ethylphenol?
The InChIKey is XFXVGTSVOUTKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2Si/c1-6-12-9-13(7-8-14(12)15)16-17(10(2)3)11(4)5/h7-11,15,17H,6H2,1-5H3.
What are the key properties of 4-di(propan-2-yl)silyloxy-2-ethylphenol?
4-di(propan-2-yl)silyloxy-2-ethylphenol has a molecular weight of 252.43 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-di(propan-2-yl)silyloxy-2-ethylphenol is sourced from PubChem (CID 139213599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).