2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one

C12H26O2Si — CID 73023201

IUPAC2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one
SMILESCCCC(=O)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-8-9-11(13)10(2)14-15(6,7)12(3,4)5/h10H,8-9H2,1-7H3
InChIKeyVGASTOREMBJCSF-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.77
Rot. Bonds5

About 2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one

2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one (PubChem CID 73023201) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one
PubChem CID73023201
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one
SMILESCCCC(=O)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-8-9-11(13)10(2)14-15(6,7)12(3,4)5/h10H,8-9H2,1-7H3
InChIKeyVGASTOREMBJCSF-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one 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 2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one (CID 73023201) is 2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one is CCCC(=O)C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one?
The InChIKey is VGASTOREMBJCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-8-9-11(13)10(2)14-15(6,7)12(3,4)5/h10H,8-9H2,1-7H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one?
2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one has a molecular weight of 230.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one is sourced from PubChem (CID 73023201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).