(6S)-8-(trimethylsilylmethyl)-6-trimethylsilyloxynon-8-en-2-one

C16H34O2Si2 — CID 11232284

IUPAC(6S)-8-(trimethylsilylmethyl)-6-trimethylsilyloxynon-8-en-2-one
SMILESC=C(C[C@H](CCCC(C)=O)O[Si](C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C16H34O2Si2/c1-14(13-19(3,4)5)12-16(18-20(6,7)8)11-9-10-15(2)17/h16H,1,9-13H2,2-8H3/t16-/m0/s1
InChIKeyWEEWPIPVAQUAEV-INIZCTEOSA-N
MW314.62 g/mol
LogP5.25
Rot. Bonds10

About (6S)-8-(trimethylsilylmethyl)-6-trimethylsilyloxynon-8-en-2-one

(6S)-8-(trimethylsilylmethyl)-6-trimethylsilyloxynon-8-en-2-one (PubChem CID 11232284) has the molecular formula C16H34O2Si2 and a molecular weight of 314.62 g/mol. Its IUPAC name is (6S)-8-(trimethylsilylmethyl)-6-trimethylsilyloxynon-8-en-2-one.

Molecular Properties

Compound Name(6S)-8-(trimethylsilylmethyl)-6-trimethylsilyloxynon-8-en-2-one
PubChem CID11232284
Molecular FormulaC16H34O2Si2
Molecular Weight314.62 g/mol
Exact Mass314.21
IUPAC Name(6S)-8-(trimethylsilylmethyl)-6-trimethylsilyloxynon-8-en-2-one
SMILESC=C(C[C@H](CCCC(C)=O)O[Si](C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C16H34O2Si2/c1-14(13-19(3,4)5)12-16(18-20(6,7)8)11-9-10-15(2)17/h16H,1,9-13H2,2-8H3/t16-/m0/s1
InChIKeyWEEWPIPVAQUAEV-INIZCTEOSA-N
XLogP5.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.62
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxynon-8-en-2-one
CID 11044811
(10R)-10-hydroxy-12-(trimethylsilylmethyl)tridec-12-en-6-one
CID 134942392
10-[Tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one
CID 11324012
6-Hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one
CID 74936160
2-Ethyl-4-triethylsilyloxydec-1-ene-1,9-dione
CID 140333756
8-(Oxomethylidene)-6-triethylsilyloxydecanal
CID 140333784
7-[Diethoxy(propyl)silyl]oxy-2-methyloct-1-en-3-one
CID 153990188
1-[Tert-butyl(dimethyl)silyl]oxytetradec-13-en-5-one
CID 168962230
7-(Ethoxy-methyl-propylsilyl)oxy-2-methyloct-1-en-3-one
CID 172817252
(10R)-10-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one
CID 10637844
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-8-methylidenedecan-2-one
CID 11151611
(6S)-6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one
CID 11172556

Frequently Asked Questions

What is the IUPAC name of (6S)-8-(trimethylsilylmethyl)-6-trimethylsilyloxynon-8-en-2-one?
The IUPAC name of (6S)-8-(trimethylsilylmethyl)-6-trimethylsilyloxynon-8-en-2-one (CID 11232284) is (6S)-8-(trimethylsilylmethyl)-6-trimethylsilyloxynon-8-en-2-one.
What is the SMILES notation for (6S)-8-(trimethylsilylmethyl)-6-trimethylsilyloxynon-8-en-2-one?
The canonical SMILES for (6S)-8-(trimethylsilylmethyl)-6-trimethylsilyloxynon-8-en-2-one is C=C(C[C@H](CCCC(C)=O)O[Si](C)(C)C)C[Si](C)(C)C.
What is the InChIKey of (6S)-8-(trimethylsilylmethyl)-6-trimethylsilyloxynon-8-en-2-one?
The InChIKey is WEEWPIPVAQUAEV-INIZCTEOSA-N. The full InChI is InChI=1S/C16H34O2Si2/c1-14(13-19(3,4)5)12-16(18-20(6,7)8)11-9-10-15(2)17/h16H,1,9-13H2,2-8H3/t16-/m0/s1.
What are the key properties of (6S)-8-(trimethylsilylmethyl)-6-trimethylsilyloxynon-8-en-2-one?
(6S)-8-(trimethylsilylmethyl)-6-trimethylsilyloxynon-8-en-2-one has a molecular weight of 314.62 g/mol, XLogP of 5.25, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-(trimethylsilylmethyl)-6-trimethylsilyloxynon-8-en-2-one is sourced from PubChem (CID 11232284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).