(E)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-6-en-4-one

C17H36O2Si2 — CID 10947450

IUPAC(E)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-6-en-4-one
SMILESCCCC(=O)C/C(=C\C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2Si2/c1-10-11-15(18)14-16(12-13-20(5,6)7)19-21(8,9)17(2,3)4/h12H,10-11,13-14H2,1-9H3/b16-12+
InChIKeyHOEHCRIVPVOEJY-FOWTUZBSSA-N
MW328.65 g/mol
LogP5.99
Rot. Bonds8

About (E)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-6-en-4-one

(E)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-6-en-4-one (PubChem CID 10947450) has the molecular formula C17H36O2Si2 and a molecular weight of 328.65 g/mol. Its IUPAC name is (E)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-6-en-4-one.

Molecular Properties

Compound Name(E)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-6-en-4-one
PubChem CID10947450
Molecular FormulaC17H36O2Si2
Molecular Weight328.65 g/mol
Exact Mass328.23
IUPAC Name(E)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-6-en-4-one
SMILESCCCC(=O)C/C(=C\C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2Si2/c1-10-11-15(18)14-16(12-13-20(5,6)7)19-21(8,9)17(2,3)4/h12H,10-11,13-14H2,1-9H3/b16-12+
InChIKeyHOEHCRIVPVOEJY-FOWTUZBSSA-N
XLogP5.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.65
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-6-en-4-one?
The IUPAC name of (E)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-6-en-4-one (CID 10947450) is (E)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-6-en-4-one.
What is the SMILES notation for (E)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-6-en-4-one?
The canonical SMILES for (E)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-6-en-4-one is CCCC(=O)C/C(=C\C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-6-en-4-one?
The InChIKey is HOEHCRIVPVOEJY-FOWTUZBSSA-N. The full InChI is InChI=1S/C17H36O2Si2/c1-10-11-15(18)14-16(12-13-20(5,6)7)19-21(8,9)17(2,3)4/h12H,10-11,13-14H2,1-9H3/b16-12+.
What are the key properties of (E)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-6-en-4-one?
(E)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-6-en-4-one has a molecular weight of 328.65 g/mol, XLogP of 5.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-6-en-4-one is sourced from PubChem (CID 10947450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).