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

C12H24O3Si — CID 125476530

IUPACethyl (E,2R)-4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-enoate
SMILESCCOC(=O)[C@H](O)/C=C/[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-7-15-11(14)10(13)8-9-16(5,6)12(2,3)4/h8-10,13H,7H2,1-6H3/b9-8+/t10-/m1/s1
InChIKeyAWXLHMSXXVBLKE-AAXQSMANSA-N
MW244.41 g/mol
LogP2.51
Rot. Bonds4

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

ethyl (E,2R)-4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-enoate (PubChem CID 125476530) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is ethyl (E,2R)-4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-enoate.

Molecular Properties

Compound Nameethyl (E,2R)-4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-enoate
PubChem CID125476530
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Nameethyl (E,2R)-4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-enoate
SMILESCCOC(=O)[C@H](O)/C=C/[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-7-15-11(14)10(13)8-9-16(5,6)12(2,3)4/h8-10,13H,7H2,1-6H3/b9-8+/t10-/m1/s1
InChIKeyAWXLHMSXXVBLKE-AAXQSMANSA-N
XLogP2.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethyl (Z,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-4-enoate
CID 101498297
ethyl (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-6,6-dimethylhept-4-enoate
CID 101498298
ethyl (Z)-2,5-diaminohex-3-enoate
CID 154468821
ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 56641063
ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate
CID 102348217
ethyl [tert-butyl(dimethyl)silyl]formate
CID 174277744
ethyl (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enoate
CID 24755951
ethyl (E,4R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-4-methylhept-2-enoate
CID 102482234
ethyl 2-[tert-butyl(dimethyl)silyl]-2-tri(propan-2-yl)silylacetate
CID 10760889
ethyl (2R,3S)-3-hydroxy-2-methylbutanoate
CID 642623
ethyl (2S)-4-(4-chlorophenyl)-2-hydroxybut-3-enoate
CID 71416635
ethyl (2S,3S)-3-[ditert-butyl(hydroxy)silyl]-2-methylbutanoate
CID 102207719

Frequently Asked Questions

What is the IUPAC name of ethyl (E,2R)-4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-enoate?
The IUPAC name of ethyl (E,2R)-4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-enoate (CID 125476530) is ethyl (E,2R)-4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-enoate.
What is the SMILES notation for ethyl (E,2R)-4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-enoate?
The canonical SMILES for ethyl (E,2R)-4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-enoate is CCOC(=O)[C@H](O)/C=C/[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E,2R)-4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-enoate?
The InChIKey is AWXLHMSXXVBLKE-AAXQSMANSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-7-15-11(14)10(13)8-9-16(5,6)12(2,3)4/h8-10,13H,7H2,1-6H3/b9-8+/t10-/m1/s1.
What are the key properties of ethyl (E,2R)-4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-enoate?
ethyl (E,2R)-4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-enoate has a molecular weight of 244.41 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,2R)-4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-enoate is sourced from PubChem (CID 125476530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).