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

C15H30O3Si — CID 42599910

IUPAC(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-hydroxynon-8-en-4-one
SMILESC=CC[C@@H](O)CC(=O)C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-8-9-13(16)11-14(17)10-12(2)18-19(6,7)15(3,4)5/h8,12-13,16H,1,9-11H2,2-7H3/t12-,13+/m0/s1
InChIKeyFBOAVQRGVSKTDB-QWHCGFSZSA-N
MW286.49 g/mol
LogP3.68
Rot. Bonds8

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

(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-hydroxynon-8-en-4-one (PubChem CID 42599910) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is (2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-hydroxynon-8-en-4-one.

Molecular Properties

Compound Name(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-hydroxynon-8-en-4-one
PubChem CID42599910
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-hydroxynon-8-en-4-one
SMILESC=CC[C@@H](O)CC(=O)C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-8-9-13(16)11-14(17)10-12(2)18-19(6,7)15(3,4)5/h8,12-13,16H,1,9-11H2,2-7H3/t12-,13+/m0/s1
InChIKeyFBOAVQRGVSKTDB-QWHCGFSZSA-N
XLogP3.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
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

(3S,4R,7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,4,6,6-tetramethyldec-9-en-5-one
CID 12171884
(7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,4,6,6-tetramethyldec-9-en-5-one
CID 87331816
(3S,4S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,4,6,6-tetramethyldec-9-en-5-one
CID 91143448
1-[Tert-butyl(dimethyl)silyl]oxy-3-hydroxydec-9-en-5-one
CID 11012045
(2R,5R)-5-hydroxy-2-methyl-1-tri(propan-2-yl)silyloxyoct-7-en-3-one
CID 11738956
(3R,4S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,4,6,6-tetramethyldec-9-en-5-one
CID 12171797
(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxynon-8-en-2-one
CID 53304464
(3R,7R)-3-[but-3-enoxy-di(propan-2-yl)silyl]oxy-7-hydroxy-2,8,8-trimethylnon-1-en-5-one
CID 101361795
(3R,7S)-3-[but-3-enoxy-di(propan-2-yl)silyl]oxy-7-hydroxy-2,8,8-trimethylnon-1-en-5-one
CID 101361796

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-hydroxynon-8-en-4-one?
The IUPAC name of (2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-hydroxynon-8-en-4-one (CID 42599910) is (2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-hydroxynon-8-en-4-one.
What is the SMILES notation for (2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-hydroxynon-8-en-4-one?
The canonical SMILES for (2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-hydroxynon-8-en-4-one is C=CC[C@@H](O)CC(=O)C[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-hydroxynon-8-en-4-one?
The InChIKey is FBOAVQRGVSKTDB-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-8-9-13(16)11-14(17)10-12(2)18-19(6,7)15(3,4)5/h8,12-13,16H,1,9-11H2,2-7H3/t12-,13+/m0/s1.
What are the key properties of (2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-hydroxynon-8-en-4-one?
(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-hydroxynon-8-en-4-one has a molecular weight of 286.49 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-hydroxynon-8-en-4-one is sourced from PubChem (CID 42599910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).