(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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Related Compounds

(1S,5R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-methyl-4-propan-2-ylspiro[4.5]deca-3,8-dien-10-one
CID 127041220
(E)-12-[tert-butyl(dimethyl)silyl]oxydodec-3-en-2-one
CID 101860242
(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-prop-2-enylcyclopent-2-en-1-one
CID 138976506
(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohept-2-en-1-one
CID 11288654
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-methylidene-3-propan-2-ylcyclopent-2-en-1-one
CID 10334655
6-[3-[Tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one
CID 10923561
(2S,3E,6S)-2,6-dimethyl-1-tri(propan-2-yl)silyloxydeca-3,9-dien-5-one
CID 12164694
(2S,6S)-2,6-dimethyl-1-tri(propan-2-yl)silyloxydec-9-en-5-one
CID 12164695
(4S)-4-([[Tert-butyl(dimethyl)silyl]oxy]methyl)-2-isopropyl-4-methyl-2-cyclopenten-1-one
CID 14136544
(E,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhexadec-2-enal
CID 16062351
3-[4-[Tert-butyl(dimethyl)silyl]oxy-2-ethylbutyl]cyclopent-2-en-1-one
CID 49793347
(4E,6R,7R)-4-[tert-butyl(dimethyl)silyl]oxy-7-methyl-6-trimethylsilylcyclooct-4-en-1-one
CID 101071574

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).