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

C15H24O6Si — CID 102156972

IUPACmethyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)C(O[Si](C)(C)C(C)(C)C)C1=CC(=O)OC1O
InChIInChI=1S/C15H24O6Si/c1-9(13(17)19-5)12(10-8-11(16)20-14(10)18)21-22(6,7)15(2,3)4/h8,12,14,18H,1H2,2-7H3
InChIKeyPPVOYXGNLFHGKH-UHFFFAOYSA-N
MW328.44 g/mol
LogP1.91
Rot. Bonds5

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

methyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate (PubChem CID 102156972) has the molecular formula C15H24O6Si and a molecular weight of 328.44 g/mol. Its IUPAC name is methyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate
PubChem CID102156972
Molecular FormulaC15H24O6Si
Molecular Weight328.44 g/mol
Exact Mass328.13
IUPAC Namemethyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)C(O[Si](C)(C)C(C)(C)C)C1=CC(=O)OC1O
InChIInChI=1S/C15H24O6Si/c1-9(13(17)19-5)12(10-8-11(16)20-14(10)18)21-22(6,7)15(2,3)4/h8,12,14,18H,1H2,2-7H3
InChIKeyPPVOYXGNLFHGKH-UHFFFAOYSA-N
XLogP1.91
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 51.91
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 methyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate (CID 102156972) is methyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate is C=C(C(=O)OC)C(O[Si](C)(C)C(C)(C)C)C1=CC(=O)OC1O.
What is the InChIKey of methyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate?
The InChIKey is PPVOYXGNLFHGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O6Si/c1-9(13(17)19-5)12(10-8-11(16)20-14(10)18)21-22(6,7)15(2,3)4/h8,12,14,18H,1H2,2-7H3.
What are the key properties of methyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate?
methyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate has a molecular weight of 328.44 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate is sourced from PubChem (CID 102156972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).