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

C14H28O3Si — CID 101220207

IUPACethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enoate
SMILESC=C[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C14H28O3Si/c1-9-11(3)12(13(15)16-10-2)17-18(7,8)14(4,5)6/h9,11-12H,1,10H2,2-8H3/t11-,12-/m1/s1
InChIKeyFGCXDXSCXTUTBV-VXGBXAGGSA-N
MW272.46 g/mol
LogP3.76
Rot. Bonds6

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

ethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enoate (PubChem CID 101220207) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is ethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enoate.

Molecular Properties

Compound Nameethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enoate
PubChem CID101220207
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Nameethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enoate
SMILESC=C[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C14H28O3Si/c1-9-11(3)12(13(15)16-10-2)17-18(7,8)14(4,5)6/h9,11-12H,1,10H2,2-8H3/t11-,12-/m1/s1
InChIKeyFGCXDXSCXTUTBV-VXGBXAGGSA-N
XLogP3.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.76
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

Ethyl 2-methyl-2-(triethylsiloxy)-4-pentenoate
CID 129741661
Ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
CID 135086453
[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] butanoate
CID 154709335
Ethyl 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 171790674
Ethyl 2-ethoxy-3-methylpent-4-enoate
CID 174276089
[(Z,2S,3S)-3-methyl-1-tri(propan-2-yl)silyloxyhex-4-en-2-yl] propanoate
CID 11002399
Ethyl 2-trimethylsilyloxypent-4-enoate
CID 11063854
Ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate
CID 11558121
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 11806891
2-(3-Methylbutoxy)pent-4-enoate
CID 17821099
methyl (Z,2R)-2-triethylsilyloxy-5-trimethylstannylpent-4-enoate
CID 44632392
2-(2-Methylbutoxy)pent-4-enoate
CID 71432156

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enoate?
The IUPAC name of ethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enoate (CID 101220207) is ethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enoate.
What is the SMILES notation for ethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enoate?
The canonical SMILES for ethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enoate is C=C[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enoate?
The InChIKey is FGCXDXSCXTUTBV-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-9-11(3)12(13(15)16-10-2)17-18(7,8)14(4,5)6/h9,11-12H,1,10H2,2-8H3/t11-,12-/m1/s1.
What are the key properties of ethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enoate?
ethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enoate has a molecular weight of 272.46 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enoate is sourced from PubChem (CID 101220207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).