ethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-enoate

C15H30O3Si — CID 11808289

IUPACethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-enoate
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)OCC
InChIInChI=1S/C15H30O3Si/c1-9-11-13(12(3)14(16)17-10-2)18-19(7,8)15(4,5)6/h9,12-13H,1,10-11H2,2-8H3/t12-,13-/m0/s1
InChIKeyLMCGYWLJXBGQIW-STQMWFEESA-N
MW286.49 g/mol
LogP4.15
Rot. Bonds7

About ethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-enoate

ethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-enoate (PubChem CID 11808289) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is ethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-enoate.

Molecular Properties

Compound Nameethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-enoate
PubChem CID11808289
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Nameethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-enoate
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)OCC
InChIInChI=1S/C15H30O3Si/c1-9-11-13(12(3)14(16)17-10-2)18-19(7,8)15(4,5)6/h9,12-13H,1,10-11H2,2-8H3/t12-,13-/m0/s1
InChIKeyLMCGYWLJXBGQIW-STQMWFEESA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.15
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

(R)-3-(tert-Butyldimethylsilyloxy)-5-hexenoic acid
CID 14110578
Ethyl 3(R)-(tert-butyldimethylsilyloxy)-5-hexenoate
CID 11065603
3-[Tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 14110577
(R)-Methyl 3-((tert-butyldimethylsilyl)oxy)hex-5-enoate
CID 14926558
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 10901749
tert-butyl (2R,3R,4S)-6,6-dibromo-2,4-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enoate
CID 42600668
[(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl] acetate
CID 134887120
(3S,4R,5S)-4-[ditert-butyl(fluoro)silyl]oxy-3-ethenyl-5-methyloxolan-2-one
CID 10685800
(3s,4r)-3-Allyl-4-(tert-butyldimethylsilyloxy) tetrahydrofuran-2-one
CID 11161185
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 15382070
Methyl 3-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate
CID 15599666
Methyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 72741311

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-enoate?
The IUPAC name of ethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-enoate (CID 11808289) is ethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-enoate.
What is the SMILES notation for ethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-enoate?
The canonical SMILES for ethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-enoate is C=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)OCC.
What is the InChIKey of ethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-enoate?
The InChIKey is LMCGYWLJXBGQIW-STQMWFEESA-N. The full InChI is InChI=1S/C15H30O3Si/c1-9-11-13(12(3)14(16)17-10-2)18-19(7,8)15(4,5)6/h9,12-13H,1,10-11H2,2-8H3/t12-,13-/m0/s1.
What are the key properties of ethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-enoate?
ethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-enoate has a molecular weight of 286.49 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-enoate is sourced from PubChem (CID 11808289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).