1-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]propan-2-ol

C12H28O3Si — CID 174202585

IUPAC1-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]propan-2-ol
SMILESCC(O)COCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O3Si/c1-11(13)10-14-8-7-9-15-16(5,6)12(2,3)4/h11,13H,7-10H2,1-6H3
InChIKeyKJILMANXEMKGBI-UHFFFAOYSA-N
MW248.44 g/mol
LogP2.80
Rot. Bonds7

About 1-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]propan-2-ol

1-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]propan-2-ol (PubChem CID 174202585) has the molecular formula C12H28O3Si and a molecular weight of 248.44 g/mol. Its IUPAC name is 1-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]propan-2-ol.

Molecular Properties

Compound Name1-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]propan-2-ol
PubChem CID174202585
Molecular FormulaC12H28O3Si
Molecular Weight248.44 g/mol
Exact Mass248.18
IUPAC Name1-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]propan-2-ol
SMILESCC(O)COCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O3Si/c1-11(13)10-14-8-7-9-15-16(5,6)12(2,3)4/h11,13H,7-10H2,1-6H3
InChIKeyKJILMANXEMKGBI-UHFFFAOYSA-N
XLogP2.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]propan-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-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]propan-2-ol?
The IUPAC name of 1-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]propan-2-ol (CID 174202585) is 1-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]propan-2-ol.
What is the SMILES notation for 1-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]propan-2-ol?
The canonical SMILES for 1-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]propan-2-ol is CC(O)COCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]propan-2-ol?
The InChIKey is KJILMANXEMKGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O3Si/c1-11(13)10-14-8-7-9-15-16(5,6)12(2,3)4/h11,13H,7-10H2,1-6H3.
What are the key properties of 1-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]propan-2-ol?
1-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]propan-2-ol has a molecular weight of 248.44 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]propan-2-ol is sourced from PubChem (CID 174202585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).