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

C16H25ClO6Si — CID 15984973

IUPAC2-chloroethyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate
SMILESC=C(C(=O)OCCCl)C(O[Si](C)(C)C(C)(C)C)C1=CC(=O)OC1O
InChIInChI=1S/C16H25ClO6Si/c1-10(14(19)21-8-7-17)13(11-9-12(18)22-15(11)20)23-24(5,6)16(2,3)4/h9,13,15,20H,1,7-8H2,2-6H3
InChIKeyRIXOHFOWXVPRJH-UHFFFAOYSA-N
MW376.91 g/mol
LogP2.52
Rot. Bonds7

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

2-chloroethyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate (PubChem CID 15984973) has the molecular formula C16H25ClO6Si and a molecular weight of 376.91 g/mol. Its IUPAC name is 2-chloroethyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate.

Molecular Properties

Compound Name2-chloroethyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate
PubChem CID15984973
Molecular FormulaC16H25ClO6Si
Molecular Weight376.91 g/mol
Exact Mass376.11
IUPAC Name2-chloroethyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate
SMILESC=C(C(=O)OCCCl)C(O[Si](C)(C)C(C)(C)C)C1=CC(=O)OC1O
InChIInChI=1S/C16H25ClO6Si/c1-10(14(19)21-8-7-17)13(11-9-12(18)22-15(11)20)23-24(5,6)16(2,3)4/h9,13,15,20H,1,7-8H2,2-6H3
InChIKeyRIXOHFOWXVPRJH-UHFFFAOYSA-N
XLogP2.52
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate?
The IUPAC name of 2-chloroethyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate (CID 15984973) is 2-chloroethyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate.
What is the SMILES notation for 2-chloroethyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate?
The canonical SMILES for 2-chloroethyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate is C=C(C(=O)OCCCl)C(O[Si](C)(C)C(C)(C)C)C1=CC(=O)OC1O.
What is the InChIKey of 2-chloroethyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate?
The InChIKey is RIXOHFOWXVPRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClO6Si/c1-10(14(19)21-8-7-17)13(11-9-12(18)22-15(11)20)23-24(5,6)16(2,3)4/h9,13,15,20H,1,7-8H2,2-6H3.
What are the key properties of 2-chloroethyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate?
2-chloroethyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate has a molecular weight of 376.91 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate is sourced from PubChem (CID 15984973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).