methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate

C13H26O3Si — CID 46918429

IUPACmethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)OC
InChIInChI=1S/C13H26O3Si/c1-9-11(10(2)12(14)15-6)16-17(7,8)13(3,4)5/h9-11H,1H2,2-8H3/t10-,11+/m0/s1
InChIKeyZCIUIZVIAYWUQI-WDEREUQCSA-N
MW258.43 g/mol
LogP3.37
Rot. Bonds5

About methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate

methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate (PubChem CID 46918429) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate.

Molecular Properties

Compound Namemethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
PubChem CID46918429
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Namemethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)OC
InChIInChI=1S/C13H26O3Si/c1-9-11(10(2)12(14)15-6)16-17(7,8)13(3,4)5/h9-11H,1H2,2-8H3/t10-,11+/m0/s1
InChIKeyZCIUIZVIAYWUQI-WDEREUQCSA-N
XLogP3.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.37
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

(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 53381041
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 14264897
(3R,4S,5R,7S,8S,9R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7,9-tetramethylundeca-1,10-dien-6-one
CID 11648709
dimethyl 2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]propanedioate
CID 11573263
methyl (2S,3R)-2,3-dimethylpent-4-enoate
CID 13148875
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11128611
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate
CID 101115916
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol
CID 14175294
methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 10879449
[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] ethyl carbonate
CID 53231197
(3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-one
CID 134970294
4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one
CID 553195

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate?
The IUPAC name of methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate (CID 46918429) is methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate.
What is the SMILES notation for methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate?
The canonical SMILES for methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate is C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)OC.
What is the InChIKey of methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate?
The InChIKey is ZCIUIZVIAYWUQI-WDEREUQCSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-9-11(10(2)12(14)15-6)16-17(7,8)13(3,4)5/h9-11H,1H2,2-8H3/t10-,11+/m0/s1.
What are the key properties of methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate?
methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate has a molecular weight of 258.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate is sourced from PubChem (CID 46918429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).