8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-3-one

C15H32O2Si — CID 11550814

IUPAC8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-3-one
SMILESCCC(=O)C(C)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-8-14(16)13(2)11-9-10-12-17-18(6,7)15(3,4)5/h13H,8-12H2,1-7H3
InChIKeyAYCBTBNYPOENJT-UHFFFAOYSA-N
MW272.50 g/mol
LogP4.79
Rot. Bonds8

About 8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-3-one

8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-3-one (PubChem CID 11550814) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is 8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-3-one.

Molecular Properties

Compound Name8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-3-one
PubChem CID11550814
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-3-one
SMILESCCC(=O)C(C)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-8-14(16)13(2)11-9-10-12-17-18(6,7)15(3,4)5/h13H,8-12H2,1-7H3
InChIKeyAYCBTBNYPOENJT-UHFFFAOYSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-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

Related Compounds

3-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
CID 10085307
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropyl-2-methylpentan-1-one
CID 154722427
(4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-2-one
CID 10377185
14-{[tert-Butyl(dimethyl)silyl]oxy}tetradecan-2-one
CID 71426209
8-[Tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one
CID 72824520
3,5-Dimethyl-6-triethylsilyloxyhexan-2-one
CID 72985644
7-[Tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-heptan-2-one
CID 99768812
6-Methyl-3-[2-tri(propan-2-yl)silyloxyethyl]heptane-2,5-dione
CID 134838764
(4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloctan-2-one
CID 135039023
3-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-6-methylheptane-2,5-dione
CID 135043007
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]decan-2-one
CID 135076388
2-[Tert-butyl(dimethyl)silyl]oxy-1-cyclohexylethanone
CID 11357321

Frequently Asked Questions

What is the IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-3-one?
The IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-3-one (CID 11550814) is 8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-3-one.
What is the SMILES notation for 8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-3-one?
The canonical SMILES for 8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-3-one is CCC(=O)C(C)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-3-one?
The InChIKey is AYCBTBNYPOENJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-8-14(16)13(2)11-9-10-12-17-18(6,7)15(3,4)5/h13H,8-12H2,1-7H3.
What are the key properties of 8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-3-one?
8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-3-one has a molecular weight of 272.50 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-3-one is sourced from PubChem (CID 11550814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).