(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxynon-8-en-2-one

C16H32O3Si — CID 11044811

IUPAC(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxynon-8-en-2-one
SMILESC=CC[C@H](C[C@@H](CC(C)=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-9-10-14(12-15(18-6)11-13(2)17)19-20(7,8)16(3,4)5/h9,14-15H,1,10-12H2,2-8H3/t14-,15-/m1/s1
InChIKeyBGGWWLUMOOFOSS-HUUCEWRRSA-N
MW300.52 g/mol
LogP4.34
Rot. Bonds9

About (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxynon-8-en-2-one

(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxynon-8-en-2-one (PubChem CID 11044811) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxynon-8-en-2-one.

Molecular Properties

Compound Name(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxynon-8-en-2-one
PubChem CID11044811
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Name(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxynon-8-en-2-one
SMILESC=CC[C@H](C[C@@H](CC(C)=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-9-10-14(12-15(18-6)11-13(2)17)19-20(7,8)16(3,4)5/h9,14-15H,1,10-12H2,2-8H3/t14-,15-/m1/s1
InChIKeyBGGWWLUMOOFOSS-HUUCEWRRSA-N
XLogP4.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-[(2S,3R,6S)-6-prop-2-enyl-2-[2-tri(propan-2-yl)silyloxyethyl]oxan-3-yl]ethanone
CID 11624849
(5R)-5-[tert-butyl(dimethyl)silyl]oxydec-9-en-3-one
CID 134966731
10-[Tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one
CID 11324012
(12Z,15Z)-4-[tert-butyl(dimethyl)silyl]oxyhenicosa-12,15-dien-2-one
CID 89431987
7-Triethylsilyloxyundec-1-en-3-one
CID 163288975
1-[Tert-butyl(dimethyl)silyl]oxytetradec-13-en-5-one
CID 168962230
(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)-8-(trimethylsilylmethyl)-6-trimethylsilyloxynon-8-en-2-one
CID 11232284
(5S,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]nona-1,8-dien-3-one
CID 11338505
(6R)-6-tri(propan-2-yl)silyloxynon-8-en-2-one
CID 11716597
(8S)-8-triethylsilyloxy-10-tri(propan-2-yl)silyloxydec-1-en-4-one
CID 101396006

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxynon-8-en-2-one?
The IUPAC name of (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxynon-8-en-2-one (CID 11044811) is (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxynon-8-en-2-one.
What is the SMILES notation for (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxynon-8-en-2-one?
The canonical SMILES for (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxynon-8-en-2-one is C=CC[C@H](C[C@@H](CC(C)=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxynon-8-en-2-one?
The InChIKey is BGGWWLUMOOFOSS-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-9-10-14(12-15(18-6)11-13(2)17)19-20(7,8)16(3,4)5/h9,14-15H,1,10-12H2,2-8H3/t14-,15-/m1/s1.
What are the key properties of (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxynon-8-en-2-one?
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxynon-8-en-2-one has a molecular weight of 300.52 g/mol, XLogP of 4.34, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxynon-8-en-2-one is sourced from PubChem (CID 11044811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).