(E)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloct-3-en-2-one

C16H32O2Si — CID 101265045

IUPAC(E)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloct-3-en-2-one
SMILESCC/C(=C\C(C)=O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-8-15(13-14(2)17)11-9-10-12-18-19(6,7)16(3,4)5/h13H,8-12H2,1-7H3/b15-13+
InChIKeyHTPCKCVITAUSRM-FYWRMAATSA-N
MW284.52 g/mol
LogP5.10
Rot. Bonds8

About (E)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloct-3-en-2-one

(E)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloct-3-en-2-one (PubChem CID 101265045) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (E)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloct-3-en-2-one.

Molecular Properties

Compound Name(E)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloct-3-en-2-one
PubChem CID101265045
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(E)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloct-3-en-2-one
SMILESCC/C(=C\C(C)=O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-8-15(13-14(2)17)11-9-10-12-18-19(6,7)16(3,4)5/h13H,8-12H2,1-7H3/b15-13+
InChIKeyHTPCKCVITAUSRM-FYWRMAATSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.52
LogP ≤ 55.10
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloct-3-en-2-one?
The IUPAC name of (E)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloct-3-en-2-one (CID 101265045) is (E)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloct-3-en-2-one.
What is the SMILES notation for (E)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloct-3-en-2-one?
The canonical SMILES for (E)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloct-3-en-2-one is CC/C(=C\C(C)=O)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloct-3-en-2-one?
The InChIKey is HTPCKCVITAUSRM-FYWRMAATSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-8-15(13-14(2)17)11-9-10-12-18-19(6,7)16(3,4)5/h13H,8-12H2,1-7H3/b15-13+.
What are the key properties of (E)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloct-3-en-2-one?
(E)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloct-3-en-2-one has a molecular weight of 284.52 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloct-3-en-2-one is sourced from PubChem (CID 101265045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).