(E)-11-[tert-butyl(dimethyl)silyl]oxy-9-methylundec-3-ene-2,8-dione

C18H34O3Si — CID 59412218

IUPAC(E)-11-[tert-butyl(dimethyl)silyl]oxy-9-methylundec-3-ene-2,8-dione
SMILESCC(=O)/C=C/CCCC(=O)C(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O3Si/c1-15(13-14-21-22(6,7)18(3,4)5)17(20)12-10-8-9-11-16(2)19/h9,11,15H,8,10,12-14H2,1-7H3/b11-9+
InChIKeyRAXKPHUOLWRGIZ-PKNBQFBNSA-N
MW326.55 g/mol
LogP4.92
Rot. Bonds10

About (E)-11-[tert-butyl(dimethyl)silyl]oxy-9-methylundec-3-ene-2,8-dione

(E)-11-[tert-butyl(dimethyl)silyl]oxy-9-methylundec-3-ene-2,8-dione (PubChem CID 59412218) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is (E)-11-[tert-butyl(dimethyl)silyl]oxy-9-methylundec-3-ene-2,8-dione.

Molecular Properties

Compound Name(E)-11-[tert-butyl(dimethyl)silyl]oxy-9-methylundec-3-ene-2,8-dione
PubChem CID59412218
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name(E)-11-[tert-butyl(dimethyl)silyl]oxy-9-methylundec-3-ene-2,8-dione
SMILESCC(=O)/C=C/CCCC(=O)C(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O3Si/c1-15(13-14-21-22(6,7)18(3,4)5)17(20)12-10-8-9-11-16(2)19/h9,11,15H,8,10,12-14H2,1-7H3/b11-9+
InChIKeyRAXKPHUOLWRGIZ-PKNBQFBNSA-N
XLogP4.92
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-11-[tert-butyl(dimethyl)silyl]oxy-9-methylundec-3-ene-2,8-dione?
The IUPAC name of (E)-11-[tert-butyl(dimethyl)silyl]oxy-9-methylundec-3-ene-2,8-dione (CID 59412218) is (E)-11-[tert-butyl(dimethyl)silyl]oxy-9-methylundec-3-ene-2,8-dione.
What is the SMILES notation for (E)-11-[tert-butyl(dimethyl)silyl]oxy-9-methylundec-3-ene-2,8-dione?
The canonical SMILES for (E)-11-[tert-butyl(dimethyl)silyl]oxy-9-methylundec-3-ene-2,8-dione is CC(=O)/C=C/CCCC(=O)C(C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-11-[tert-butyl(dimethyl)silyl]oxy-9-methylundec-3-ene-2,8-dione?
The InChIKey is RAXKPHUOLWRGIZ-PKNBQFBNSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-15(13-14-21-22(6,7)18(3,4)5)17(20)12-10-8-9-11-16(2)19/h9,11,15H,8,10,12-14H2,1-7H3/b11-9+.
What are the key properties of (E)-11-[tert-butyl(dimethyl)silyl]oxy-9-methylundec-3-ene-2,8-dione?
(E)-11-[tert-butyl(dimethyl)silyl]oxy-9-methylundec-3-ene-2,8-dione has a molecular weight of 326.55 g/mol, XLogP of 4.92, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-11-[tert-butyl(dimethyl)silyl]oxy-9-methylundec-3-ene-2,8-dione is sourced from PubChem (CID 59412218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).