(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-trimethylsilylhept-5-en-3-one

C17H36O2Si2 — CID 10892819

IUPAC(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-trimethylsilylhept-5-en-3-one
SMILESCC(C)C(=O)C/C(=C\C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2Si2/c1-14(2)16(18)13-15(11-12-20(6,7)8)19-21(9,10)17(3,4)5/h11,14H,12-13H2,1-10H3/b15-11+
InChIKeyDYKRLBQOYSVGLI-RVDMUPIBSA-N
MW328.65 g/mol
LogP5.85
Rot. Bonds7

About (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-trimethylsilylhept-5-en-3-one

(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-trimethylsilylhept-5-en-3-one (PubChem CID 10892819) has the molecular formula C17H36O2Si2 and a molecular weight of 328.65 g/mol. Its IUPAC name is (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-trimethylsilylhept-5-en-3-one.

Molecular Properties

Compound Name(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-trimethylsilylhept-5-en-3-one
PubChem CID10892819
Molecular FormulaC17H36O2Si2
Molecular Weight328.65 g/mol
Exact Mass328.23
IUPAC Name(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-trimethylsilylhept-5-en-3-one
SMILESCC(C)C(=O)C/C(=C\C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2Si2/c1-14(2)16(18)13-15(11-12-20(6,7)8)19-21(9,10)17(3,4)5/h11,14H,12-13H2,1-10H3/b15-11+
InChIKeyDYKRLBQOYSVGLI-RVDMUPIBSA-N
XLogP5.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.65
LogP ≤ 55.85
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'}

Analyze (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-trimethylsilylhept-5-en-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 (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-trimethylsilylhept-5-en-3-one?
The IUPAC name of (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-trimethylsilylhept-5-en-3-one (CID 10892819) is (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-trimethylsilylhept-5-en-3-one.
What is the SMILES notation for (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-trimethylsilylhept-5-en-3-one?
The canonical SMILES for (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-trimethylsilylhept-5-en-3-one is CC(C)C(=O)C/C(=C\C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-trimethylsilylhept-5-en-3-one?
The InChIKey is DYKRLBQOYSVGLI-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H36O2Si2/c1-14(2)16(18)13-15(11-12-20(6,7)8)19-21(9,10)17(3,4)5/h11,14H,12-13H2,1-10H3/b15-11+.
What are the key properties of (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-trimethylsilylhept-5-en-3-one?
(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-trimethylsilylhept-5-en-3-one has a molecular weight of 328.65 g/mol, XLogP of 5.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-trimethylsilylhept-5-en-3-one is sourced from PubChem (CID 10892819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).