ethyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate

C17H30O4Si — CID 72543847

IUPACethyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate
SMILESC=CCC1=C(O[Si](C)(C)C(C)(C)C)C[C@H](C(=O)OCC)OC1
InChIInChI=1S/C17H30O4Si/c1-8-10-13-12-20-15(16(18)19-9-2)11-14(13)21-22(6,7)17(3,4)5/h8,15H,1,9-12H2,2-7H3/t15-/m1/s1
InChIKeyBQVGRUZCPZPFRW-OAHLLOKOSA-N
MW326.51 g/mol
LogP4.19
Rot. Bonds6

About ethyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate

ethyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate (PubChem CID 72543847) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is ethyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate
PubChem CID72543847
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Nameethyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate
SMILESC=CCC1=C(O[Si](C)(C)C(C)(C)C)C[C@H](C(=O)OCC)OC1
InChIInChI=1S/C17H30O4Si/c1-8-10-13-12-20-15(16(18)19-9-2)11-14(13)21-22(6,7)17(3,4)5/h8,15H,1,9-12H2,2-7H3/t15-/m1/s1
InChIKeyBQVGRUZCPZPFRW-OAHLLOKOSA-N
XLogP4.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (2R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate
CID 10834056
ethyl (2S,3R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 44463142
ethyl (2S,3S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 102523565
ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 102523566
[(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 102573501
[(2R,3R,6S)-3-acetyloxy-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 102573502
methyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-5-carboxylate
CID 135029959
methyl (1S,6R)-1-acetyloxy-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-diene-1-carboxylate
CID 146170195
ethyl (2S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate
CID 10620205
ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate
CID 10810208
[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] butanoate
CID 19389476
ethyl (2R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 176359236

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate?
The IUPAC name of ethyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate (CID 72543847) is ethyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate.
What is the SMILES notation for ethyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate?
The canonical SMILES for ethyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate is C=CCC1=C(O[Si](C)(C)C(C)(C)C)C[C@H](C(=O)OCC)OC1.
What is the InChIKey of ethyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate?
The InChIKey is BQVGRUZCPZPFRW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-8-10-13-12-20-15(16(18)19-9-2)11-14(13)21-22(6,7)17(3,4)5/h8,15H,1,9-12H2,2-7H3/t15-/m1/s1.
What are the key properties of ethyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate?
ethyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate has a molecular weight of 326.51 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate is sourced from PubChem (CID 72543847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).