ethyl 5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-methylfuran-3-carboxylate

C17H30O5Si — CID 100985601

IUPACethyl 5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-methylfuran-3-carboxylate
SMILESCCOC(=O)c1cc([C@H](O)[C@H](C)O[Si](C)(C)C(C)(C)C)oc1C
InChIInChI=1S/C17H30O5Si/c1-9-20-16(19)13-10-14(21-11(13)2)15(18)12(3)22-23(7,8)17(4,5)6/h10,12,15,18H,9H2,1-8H3/t12-,15+/m0/s1
InChIKeyVXRLRLMGTSLUAG-SWLSCSKDSA-N
MW342.51 g/mol
LogP4.21
Rot. Bonds6

About ethyl 5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-methylfuran-3-carboxylate

ethyl 5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-methylfuran-3-carboxylate (PubChem CID 100985601) has the molecular formula C17H30O5Si and a molecular weight of 342.51 g/mol. Its IUPAC name is ethyl 5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-methylfuran-3-carboxylate
PubChem CID100985601
Molecular FormulaC17H30O5Si
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC Nameethyl 5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-methylfuran-3-carboxylate
SMILESCCOC(=O)c1cc([C@H](O)[C@H](C)O[Si](C)(C)C(C)(C)C)oc1C
InChIInChI=1S/C17H30O5Si/c1-9-20-16(19)13-10-14(21-11(13)2)15(18)12(3)22-23(7,8)17(4,5)6/h10,12,15,18H,9H2,1-8H3/t12-,15+/m0/s1
InChIKeyVXRLRLMGTSLUAG-SWLSCSKDSA-N
XLogP4.21
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-methyl-5-[(1R,2R)-1,2,3-trihydroxypropyl]furan-3-carboxylate
CID 11288010
ethyl 5-[(1S)-1-hydroperoxyethyl]-2-methylfuran-3-carboxylate
CID 10943835
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474
methyl 5-[(1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxy-2-methylbutyl]-2-methylfuran-3-carboxylate
CID 135022680
2-(4-ethoxycarbonyl-5-methylfuran-2-yl)acetic acid
CID 12789057
ethyl 2-methyl-5-prop-1-en-2-ylfuran-3-carboxylate
CID 121223435
ethyl (Z,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-4-enoate
CID 101498297
ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methylaminomethyl)butanoate
CID 57178030
ethyl 1-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxopentan-3-yl]imidazole-4-carboxylate
CID 86595162
ethyl (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-6,6-dimethylhept-4-enoate
CID 101498298
ethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]propanoyloxy]propanoate
CID 10177567
S-ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanethioate
CID 10850104

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-methylfuran-3-carboxylate?
The IUPAC name of ethyl 5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-methylfuran-3-carboxylate (CID 100985601) is ethyl 5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for ethyl 5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for ethyl 5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-methylfuran-3-carboxylate is CCOC(=O)c1cc([C@H](O)[C@H](C)O[Si](C)(C)C(C)(C)C)oc1C.
What is the InChIKey of ethyl 5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-methylfuran-3-carboxylate?
The InChIKey is VXRLRLMGTSLUAG-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H30O5Si/c1-9-20-16(19)13-10-14(21-11(13)2)15(18)12(3)22-23(7,8)17(4,5)6/h10,12,15,18H,9H2,1-8H3/t12-,15+/m0/s1.
What are the key properties of ethyl 5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-methylfuran-3-carboxylate?
ethyl 5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-methylfuran-3-carboxylate has a molecular weight of 342.51 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 100985601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).