methyl 3-hydroxy-5-[2-tri(propan-2-yl)silyloxypropan-2-yloxy]benzoate

C20H34O5Si — CID 67486352

IUPACmethyl 3-hydroxy-5-[2-tri(propan-2-yl)silyloxypropan-2-yloxy]benzoate
SMILESCOC(=O)c1cc(O)cc(OC(C)(C)O[Si](C(C)C)(C(C)C)C(C)C)c1
InChIInChI=1S/C20H34O5Si/c1-13(2)26(14(3)4,15(5)6)25-20(7,8)24-18-11-16(19(22)23-9)10-17(21)12-18/h10-15,21H,1-9H3
InChIKeySVUUQIGXEJQTKZ-UHFFFAOYSA-N
MW382.57 g/mol
LogP5.49
Rot. Bonds8

About methyl 3-hydroxy-5-[2-tri(propan-2-yl)silyloxypropan-2-yloxy]benzoate

methyl 3-hydroxy-5-[2-tri(propan-2-yl)silyloxypropan-2-yloxy]benzoate (PubChem CID 67486352) has the molecular formula C20H34O5Si and a molecular weight of 382.57 g/mol. Its IUPAC name is methyl 3-hydroxy-5-[2-tri(propan-2-yl)silyloxypropan-2-yloxy]benzoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-5-[2-tri(propan-2-yl)silyloxypropan-2-yloxy]benzoate
PubChem CID67486352
Molecular FormulaC20H34O5Si
Molecular Weight382.57 g/mol
Exact Mass382.22
IUPAC Namemethyl 3-hydroxy-5-[2-tri(propan-2-yl)silyloxypropan-2-yloxy]benzoate
SMILESCOC(=O)c1cc(O)cc(OC(C)(C)O[Si](C(C)C)(C(C)C)C(C)C)c1
InChIInChI=1S/C20H34O5Si/c1-13(2)26(14(3)4,15(5)6)25-20(7,8)24-18-11-16(19(22)23-9)10-17(21)12-18/h10-15,21H,1-9H3
InChIKeySVUUQIGXEJQTKZ-UHFFFAOYSA-N
XLogP5.49
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.57
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methyl 3-hydroxy-5-[2-tri(propan-2-yl)silyloxypropan-2-yloxy]benzoate 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 methyl 3-hydroxy-5-[2-tri(propan-2-yl)silyloxypropan-2-yloxy]benzoate?
The IUPAC name of methyl 3-hydroxy-5-[2-tri(propan-2-yl)silyloxypropan-2-yloxy]benzoate (CID 67486352) is methyl 3-hydroxy-5-[2-tri(propan-2-yl)silyloxypropan-2-yloxy]benzoate.
What is the SMILES notation for methyl 3-hydroxy-5-[2-tri(propan-2-yl)silyloxypropan-2-yloxy]benzoate?
The canonical SMILES for methyl 3-hydroxy-5-[2-tri(propan-2-yl)silyloxypropan-2-yloxy]benzoate is COC(=O)c1cc(O)cc(OC(C)(C)O[Si](C(C)C)(C(C)C)C(C)C)c1.
What is the InChIKey of methyl 3-hydroxy-5-[2-tri(propan-2-yl)silyloxypropan-2-yloxy]benzoate?
The InChIKey is SVUUQIGXEJQTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O5Si/c1-13(2)26(14(3)4,15(5)6)25-20(7,8)24-18-11-16(19(22)23-9)10-17(21)12-18/h10-15,21H,1-9H3.
What are the key properties of methyl 3-hydroxy-5-[2-tri(propan-2-yl)silyloxypropan-2-yloxy]benzoate?
methyl 3-hydroxy-5-[2-tri(propan-2-yl)silyloxypropan-2-yloxy]benzoate has a molecular weight of 382.57 g/mol, XLogP of 5.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-5-[2-tri(propan-2-yl)silyloxypropan-2-yloxy]benzoate is sourced from PubChem (CID 67486352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).