(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-4-en-1-yn-3-one

C15H28O2Si2 — CID 14466751

IUPAC(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-4-en-1-yn-3-one
SMILESCC(C)(C)[Si](C)(C)OC/C=C/C(=O)C#C[Si](C)(C)C
InChIInChI=1S/C15H28O2Si2/c1-15(2,3)19(7,8)17-12-9-10-14(16)11-13-18(4,5)6/h9-10H,12H2,1-8H3/b10-9+
InChIKeyPMOZZPARVBNTMM-MDZDMXLPSA-N
MW296.56 g/mol
LogP4.01
Rot. Bonds4

About (E)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-4-en-1-yn-3-one

(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-4-en-1-yn-3-one (PubChem CID 14466751) has the molecular formula C15H28O2Si2 and a molecular weight of 296.56 g/mol. Its IUPAC name is (E)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-4-en-1-yn-3-one.

Molecular Properties

Compound Name(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-4-en-1-yn-3-one
PubChem CID14466751
Molecular FormulaC15H28O2Si2
Molecular Weight296.56 g/mol
Exact Mass296.16
IUPAC Name(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-4-en-1-yn-3-one
SMILESCC(C)(C)[Si](C)(C)OC/C=C/C(=O)C#C[Si](C)(C)C
InChIInChI=1S/C15H28O2Si2/c1-15(2,3)19(7,8)17-12-9-10-14(16)11-13-18(4,5)6/h9-10H,12H2,1-8H3/b10-9+
InChIKeyPMOZZPARVBNTMM-MDZDMXLPSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.56
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-4-en-1-yn-3-one?
The IUPAC name of (E)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-4-en-1-yn-3-one (CID 14466751) is (E)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-4-en-1-yn-3-one.
What is the SMILES notation for (E)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-4-en-1-yn-3-one?
The canonical SMILES for (E)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-4-en-1-yn-3-one is CC(C)(C)[Si](C)(C)OC/C=C/C(=O)C#C[Si](C)(C)C.
What is the InChIKey of (E)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-4-en-1-yn-3-one?
The InChIKey is PMOZZPARVBNTMM-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H28O2Si2/c1-15(2,3)19(7,8)17-12-9-10-14(16)11-13-18(4,5)6/h9-10H,12H2,1-8H3/b10-9+.
What are the key properties of (E)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-4-en-1-yn-3-one?
(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-4-en-1-yn-3-one has a molecular weight of 296.56 g/mol, XLogP of 4.01, 4 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-1-trimethylsilylhex-4-en-1-yn-3-one is sourced from PubChem (CID 14466751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).