1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol

C12H28O2Si — CID 10633362

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol
SMILESCC(C)CC(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O2Si/c1-10(2)8-11(13)9-14-15(6,7)12(3,4)5/h10-11,13H,8-9H2,1-7H3
InChIKeyOBPBONPQLSFDPJ-UHFFFAOYSA-N
MW232.44 g/mol
LogP3.42
Rot. Bonds5

About 1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol

1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol (PubChem CID 10633362) has the molecular formula C12H28O2Si and a molecular weight of 232.44 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol
PubChem CID10633362
Molecular FormulaC12H28O2Si
Molecular Weight232.44 g/mol
Exact Mass232.19
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol
SMILESCC(C)CC(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O2Si/c1-10(2)8-11(13)9-14-15(6,7)12(3,4)5/h10-11,13H,8-9H2,1-7H3
InChIKeyOBPBONPQLSFDPJ-UHFFFAOYSA-N
XLogP3.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-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-4-methylpentan-2-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol (CID 10633362) is 1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol is CC(C)CC(O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol?
The InChIKey is OBPBONPQLSFDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O2Si/c1-10(2)8-11(13)9-14-15(6,7)12(3,4)5/h10-11,13H,8-9H2,1-7H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol?
1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol has a molecular weight of 232.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol is sourced from PubChem (CID 10633362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).