(E,2S)-2-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-one

C12H24O2Si — CID 87285804

IUPAC(E,2S)-2-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-one
SMILESC/C=C/C(=O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-8-9-11(13)10(2)14-15(6,7)12(3,4)5/h8-10H,1-7H3/b9-8+/t10-/m0/s1
InChIKeyKWSGHVSKBIYMID-DDXVTDLHSA-N
MW228.41 g/mol
LogP3.54
Rot. Bonds4

About (E,2S)-2-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-one

(E,2S)-2-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-one (PubChem CID 87285804) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is (E,2S)-2-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-one.

Molecular Properties

Compound Name(E,2S)-2-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-one
PubChem CID87285804
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name(E,2S)-2-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-one
SMILESC/C=C/C(=O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-8-9-11(13)10(2)14-15(6,7)12(3,4)5/h8-10H,1-7H3/b9-8+/t10-/m0/s1
InChIKeyKWSGHVSKBIYMID-DDXVTDLHSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.54
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'}

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Frequently Asked Questions

What is the IUPAC name of (E,2S)-2-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-one?
The IUPAC name of (E,2S)-2-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-one (CID 87285804) is (E,2S)-2-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-one.
What is the SMILES notation for (E,2S)-2-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-one?
The canonical SMILES for (E,2S)-2-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-one is C/C=C/C(=O)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2S)-2-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-one?
The InChIKey is KWSGHVSKBIYMID-DDXVTDLHSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-8-9-11(13)10(2)14-15(6,7)12(3,4)5/h8-10H,1-7H3/b9-8+/t10-/m0/s1.
What are the key properties of (E,2S)-2-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-one?
(E,2S)-2-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-one has a molecular weight of 228.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-one is sourced from PubChem (CID 87285804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).