(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-methylideneoctan-3-one

C16H32O2Si — CID 10265921

IUPAC(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-methylideneoctan-3-one
SMILESC=C(CC)[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/h13,15H,3,10-11H2,1-2,4-9H3/t13-,15-/m1/s1
InChIKeyGMDFDTSYMYDDEX-UKRRQHHQSA-N
MW284.52 g/mol
LogP4.96
Rot. Bonds7

About (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-methylideneoctan-3-one

(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-methylideneoctan-3-one (PubChem CID 10265921) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-methylideneoctan-3-one.

Molecular Properties

Compound Name(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-methylideneoctan-3-one
PubChem CID10265921
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-methylideneoctan-3-one
SMILESC=C(CC)[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/h13,15H,3,10-11H2,1-2,4-9H3/t13-,15-/m1/s1
InChIKeyGMDFDTSYMYDDEX-UKRRQHHQSA-N
XLogP4.96
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 ≤ 54.96
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

(E,2S,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-10-methylidene-7-oxododec-4-enal
CID 10250059
(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
(3R,7R)-3-methyl-7-triethylsilyloxydec-1-en-5-one
CID 53328469
(5R,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-one
CID 134865994
(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
CID 145945194
CID 145945194
(6R,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-one
CID 140765680
(6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-one
CID 140765681
(6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-one
CID 140765696

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-methylideneoctan-3-one?
The IUPAC name of (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-methylideneoctan-3-one (CID 10265921) is (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-methylideneoctan-3-one.
What is the SMILES notation for (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-methylideneoctan-3-one?
The canonical SMILES for (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-methylideneoctan-3-one is C=C(CC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)CC.
What is the InChIKey of (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-methylideneoctan-3-one?
The InChIKey is GMDFDTSYMYDDEX-UKRRQHHQSA-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/h13,15H,3,10-11H2,1-2,4-9H3/t13-,15-/m1/s1.
What are the key properties of (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-methylideneoctan-3-one?
(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-methylideneoctan-3-one has a molecular weight of 284.52 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-methylideneoctan-3-one is sourced from PubChem (CID 10265921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).