ethyl 2-[(2S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-6-hydroxy-2-methyloxan-2-yl]acetate

C18H34O5Si — CID 23643804

IUPACethyl 2-[(2S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-6-hydroxy-2-methyloxan-2-yl]acetate
SMILESC=C[C@H]1C[C@@](C)(CC(=O)OCC)OC(O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O5Si/c1-9-13-11-18(6,12-14(19)21-10-2)22-16(20)15(13)23-24(7,8)17(3,4)5/h9,13,15-16,20H,1,10-12H2,2-8H3/t13-,15-,16?,18-/m0/s1
InChIKeyARGJZJTZDRSQQF-VYDSJUIPSA-N
MW358.55 g/mol
LogP3.63
Rot. Bonds6

About ethyl 2-[(2S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-6-hydroxy-2-methyloxan-2-yl]acetate

ethyl 2-[(2S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-6-hydroxy-2-methyloxan-2-yl]acetate (PubChem CID 23643804) has the molecular formula C18H34O5Si and a molecular weight of 358.55 g/mol. Its IUPAC name is ethyl 2-[(2S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-6-hydroxy-2-methyloxan-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-6-hydroxy-2-methyloxan-2-yl]acetate
PubChem CID23643804
Molecular FormulaC18H34O5Si
Molecular Weight358.55 g/mol
Exact Mass358.22
IUPAC Nameethyl 2-[(2S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-6-hydroxy-2-methyloxan-2-yl]acetate
SMILESC=C[C@H]1C[C@@](C)(CC(=O)OCC)OC(O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O5Si/c1-9-13-11-18(6,12-14(19)21-10-2)22-16(20)15(13)23-24(7,8)17(3,4)5/h9,13,15-16,20H,1,10-12H2,2-8H3/t13-,15-,16?,18-/m0/s1
InChIKeyARGJZJTZDRSQQF-VYDSJUIPSA-N
XLogP3.63
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-6-hydroxy-2-methyloxan-2-yl]acetate?
The IUPAC name of ethyl 2-[(2S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-6-hydroxy-2-methyloxan-2-yl]acetate (CID 23643804) is ethyl 2-[(2S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-6-hydroxy-2-methyloxan-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-6-hydroxy-2-methyloxan-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-6-hydroxy-2-methyloxan-2-yl]acetate is C=C[C@H]1C[C@@](C)(CC(=O)OCC)OC(O)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 2-[(2S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-6-hydroxy-2-methyloxan-2-yl]acetate?
The InChIKey is ARGJZJTZDRSQQF-VYDSJUIPSA-N. The full InChI is InChI=1S/C18H34O5Si/c1-9-13-11-18(6,12-14(19)21-10-2)22-16(20)15(13)23-24(7,8)17(3,4)5/h9,13,15-16,20H,1,10-12H2,2-8H3/t13-,15-,16?,18-/m0/s1.
What are the key properties of ethyl 2-[(2S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-6-hydroxy-2-methyloxan-2-yl]acetate?
ethyl 2-[(2S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-6-hydroxy-2-methyloxan-2-yl]acetate has a molecular weight of 358.55 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-6-hydroxy-2-methyloxan-2-yl]acetate is sourced from PubChem (CID 23643804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).