3-ethoxy-2,2-dimethyl-1-phenyl-3-tri(propan-2-yl)silyloxypropan-1-ol

C22H40O3Si — CID 15525443

IUPAC3-ethoxy-2,2-dimethyl-1-phenyl-3-tri(propan-2-yl)silyloxypropan-1-ol
SMILESCCOC(O[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C(O)c1ccccc1
InChIInChI=1S/C22H40O3Si/c1-10-24-21(25-26(16(2)3,17(4)5)18(6)7)22(8,9)20(23)19-14-12-11-13-15-19/h11-18,20-21,23H,10H2,1-9H3
InChIKeyWPPFCAOOQIMZJO-UHFFFAOYSA-N
MW380.65 g/mol
LogP6.30
Rot. Bonds10

About 3-ethoxy-2,2-dimethyl-1-phenyl-3-tri(propan-2-yl)silyloxypropan-1-ol

3-ethoxy-2,2-dimethyl-1-phenyl-3-tri(propan-2-yl)silyloxypropan-1-ol (PubChem CID 15525443) has the molecular formula C22H40O3Si and a molecular weight of 380.65 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-1-phenyl-3-tri(propan-2-yl)silyloxypropan-1-ol.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-1-phenyl-3-tri(propan-2-yl)silyloxypropan-1-ol
PubChem CID15525443
Molecular FormulaC22H40O3Si
Molecular Weight380.65 g/mol
Exact Mass380.27
IUPAC Name3-ethoxy-2,2-dimethyl-1-phenyl-3-tri(propan-2-yl)silyloxypropan-1-ol
SMILESCCOC(O[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C(O)c1ccccc1
InChIInChI=1S/C22H40O3Si/c1-10-24-21(25-26(16(2)3,17(4)5)18(6)7)22(8,9)20(23)19-14-12-11-13-15-19/h11-18,20-21,23H,10H2,1-9H3
InChIKeyWPPFCAOOQIMZJO-UHFFFAOYSA-N
XLogP6.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.65
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethoxy-2,2-dimethyl-1-phenyl-3-tri(propan-2-yl)silyloxypropan-1-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 3-ethoxy-2,2-dimethyl-1-phenyl-3-tri(propan-2-yl)silyloxypropan-1-ol?
The IUPAC name of 3-ethoxy-2,2-dimethyl-1-phenyl-3-tri(propan-2-yl)silyloxypropan-1-ol (CID 15525443) is 3-ethoxy-2,2-dimethyl-1-phenyl-3-tri(propan-2-yl)silyloxypropan-1-ol.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-1-phenyl-3-tri(propan-2-yl)silyloxypropan-1-ol?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-1-phenyl-3-tri(propan-2-yl)silyloxypropan-1-ol is CCOC(O[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C(O)c1ccccc1.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-1-phenyl-3-tri(propan-2-yl)silyloxypropan-1-ol?
The InChIKey is WPPFCAOOQIMZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O3Si/c1-10-24-21(25-26(16(2)3,17(4)5)18(6)7)22(8,9)20(23)19-14-12-11-13-15-19/h11-18,20-21,23H,10H2,1-9H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-1-phenyl-3-tri(propan-2-yl)silyloxypropan-1-ol?
3-ethoxy-2,2-dimethyl-1-phenyl-3-tri(propan-2-yl)silyloxypropan-1-ol has a molecular weight of 380.65 g/mol, XLogP of 6.30, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-1-phenyl-3-tri(propan-2-yl)silyloxypropan-1-ol is sourced from PubChem (CID 15525443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).