ethyl 2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate

C16H26O6Si — CID 102406891

IUPACethyl 2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate
SMILESC=C(C(=O)OCC)[C@@H](O[Si](C)(C)C(C)(C)C)C1=CC(=O)OC1O
InChIInChI=1S/C16H26O6Si/c1-8-20-14(18)10(2)13(11-9-12(17)21-15(11)19)22-23(6,7)16(3,4)5/h9,13,15,19H,2,8H2,1,3-7H3/t13-,15?/m1/s1
InChIKeySLCCEIRMTNLILT-AFYYWNPRSA-N
MW342.46 g/mol
LogP2.30
Rot. Bonds6

About ethyl 2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate

ethyl 2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate (PubChem CID 102406891) has the molecular formula C16H26O6Si and a molecular weight of 342.46 g/mol. Its IUPAC name is ethyl 2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate
PubChem CID102406891
Molecular FormulaC16H26O6Si
Molecular Weight342.46 g/mol
Exact Mass342.15
IUPAC Nameethyl 2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate
SMILESC=C(C(=O)OCC)[C@@H](O[Si](C)(C)C(C)(C)C)C1=CC(=O)OC1O
InChIInChI=1S/C16H26O6Si/c1-8-20-14(18)10(2)13(11-9-12(17)21-15(11)19)22-23(6,7)16(3,4)5/h9,13,15,19H,2,8H2,1,3-7H3/t13-,15?/m1/s1
InChIKeySLCCEIRMTNLILT-AFYYWNPRSA-N
XLogP2.30
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate with MolForge

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Related Compounds

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)butanoic acid
CID 24776625
octyl 3-acetyloxy-3-(2-hydroxy-5-oxo-2H-furan-3-yl)propanoate
CID 14883437
methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylate
CID 68838635
Methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylate
CID 77561575
prop-2-enyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate
CID 15984922
prop-2-enyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate
CID 15984970
2-chloroethyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate
CID 15984973
butyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-4-yl)methyl]prop-2-enoate
CID 16753354
ethyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-4-yl)methyl]prop-2-enoate
CID 16754620
dodecyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate
CID 16754623
methyl 2-[acetyloxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate
CID 16754625
methyl 2-[acetyloxy-(2-hydroxy-5-oxo-2H-furan-4-yl)methyl]prop-2-enoate
CID 16754725

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate (CID 102406891) is ethyl 2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate is C=C(C(=O)OCC)[C@@H](O[Si](C)(C)C(C)(C)C)C1=CC(=O)OC1O.
What is the InChIKey of ethyl 2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate?
The InChIKey is SLCCEIRMTNLILT-AFYYWNPRSA-N. The full InChI is InChI=1S/C16H26O6Si/c1-8-20-14(18)10(2)13(11-9-12(17)21-15(11)19)22-23(6,7)16(3,4)5/h9,13,15,19H,2,8H2,1,3-7H3/t13-,15?/m1/s1.
What are the key properties of ethyl 2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate?
ethyl 2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate has a molecular weight of 342.46 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate is sourced from PubChem (CID 102406891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).