1-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropan-2-ol

C11H26O3Si — CID 87856625

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropan-2-ol
SMILESCCOCC(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H26O3Si/c1-7-13-8-10(12)9-14-15(5,6)11(2,3)4/h10,12H,7-9H2,1-6H3
InChIKeyJOPQKLOUNAMMTH-UHFFFAOYSA-N
MW234.41 g/mol
LogP2.41
Rot. Bonds6

About 1-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropan-2-ol

1-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropan-2-ol (PubChem CID 87856625) has the molecular formula C11H26O3Si and a molecular weight of 234.41 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropan-2-ol
PubChem CID87856625
Molecular FormulaC11H26O3Si
Molecular Weight234.41 g/mol
Exact Mass234.17
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropan-2-ol
SMILESCCOCC(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H26O3Si/c1-7-13-8-10(12)9-14-15(5,6)11(2,3)4/h10,12H,7-9H2,1-6H3
InChIKeyJOPQKLOUNAMMTH-UHFFFAOYSA-N
XLogP2.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropan-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 1-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropan-2-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropan-2-ol (CID 87856625) is 1-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropan-2-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropan-2-ol is CCOCC(O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropan-2-ol?
The InChIKey is JOPQKLOUNAMMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O3Si/c1-7-13-8-10(12)9-14-15(5,6)11(2,3)4/h10,12H,7-9H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropan-2-ol?
1-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropan-2-ol has a molecular weight of 234.41 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropan-2-ol is sourced from PubChem (CID 87856625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).