(4S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-7-en-3-one

C16H32O2Si — CID 11208379

IUPAC(4S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-7-en-3-one
SMILESC=C[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)CC
InChIInChI=1S/C16H32O2Si/c1-10-12(3)15(13(4)14(17)11-2)18-19(8,9)16(5,6)7/h10,12-13,15H,1,11H2,2-9H3/t12-,13-,15+/m1/s1
InChIKeyAIELMQKGPQMHJZ-NFAWXSAZSA-N
MW284.52 g/mol
LogP4.81
Rot. Bonds7

About (4S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-7-en-3-one

(4S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-7-en-3-one (PubChem CID 11208379) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (4S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-7-en-3-one.

Molecular Properties

Compound Name(4S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-7-en-3-one
PubChem CID11208379
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(4S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-7-en-3-one
SMILESC=C[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)CC
InChIInChI=1S/C16H32O2Si/c1-10-12(3)15(13(4)14(17)11-2)18-19(8,9)16(5,6)7/h10,12-13,15H,1,11H2,2-9H3/t12-,13-,15+/m1/s1
InChIKeyAIELMQKGPQMHJZ-NFAWXSAZSA-N
XLogP4.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.81
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,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-methylideneoctan-3-one
CID 10265921
(3R,5S,6R,7S)-1,1-dibromo-3,5,7-trimethyl-6-tri(propan-2-yl)silyloxynon-1-en-4-one
CID 11156519
(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnon-6-en-3-one
CID 11472059
(2S,6S)-2,6-dimethyl-1-tri(propan-2-yl)silyloxydec-9-en-5-one
CID 12164695
(3R,7R)-3-methyl-7-triethylsilyloxydec-1-en-5-one
CID 53328469
(2S,3R)-2-methyl-3-triethylsilyloxyoct-7-enal
CID 134854809
(3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-one
CID 134857529
(4R,5S,6S,7Z)-4,6-dimethyl-5-trimethylsilyloxydeca-7,9-dien-3-one
CID 134966593
(3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-one
CID 134970294
(5R, 6S)-6-methyl-5-((triethylsilyl)oxy)dec-1-en-3-one
CID 145865208
(5S, 6S)-6-methyl-5-((triethylsilyl)oxy)dec-1-en-3-one
CID 145865218
(1R)-1-[(1R,2R)-2-methylcyclopropyl]-1-triethylsilyloxyhex-5-en-3-one
CID 145945167

Frequently Asked Questions

What is the IUPAC name of (4S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-7-en-3-one?
The IUPAC name of (4S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-7-en-3-one (CID 11208379) is (4S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-7-en-3-one.
What is the SMILES notation for (4S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-7-en-3-one?
The canonical SMILES for (4S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-7-en-3-one is C=C[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)CC.
What is the InChIKey of (4S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-7-en-3-one?
The InChIKey is AIELMQKGPQMHJZ-NFAWXSAZSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-10-12(3)15(13(4)14(17)11-2)18-19(8,9)16(5,6)7/h10,12-13,15H,1,11H2,2-9H3/t12-,13-,15+/m1/s1.
What are the key properties of (4S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-7-en-3-one?
(4S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-7-en-3-one has a molecular weight of 284.52 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-7-en-3-one is sourced from PubChem (CID 11208379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).