ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enoate

C14H28O4Si — CID 11493008

IUPACethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enoate
SMILESCCOC(=O)/C=C/[C@@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-8-17-13(16)10-9-12(15)11(2)18-19(6,7)14(3,4)5/h9-12,15H,8H2,1-7H3/b10-9+/t11-,12-/m1/s1
InChIKeyRXPVQCWVKQYMHW-CZHKVUGUSA-N
MW288.46 g/mol
LogP2.88
Rot. Bonds6

About ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enoate

ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enoate (PubChem CID 11493008) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enoate.

Molecular Properties

Compound Nameethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enoate
PubChem CID11493008
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Nameethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enoate
SMILESCCOC(=O)/C=C/[C@@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-8-17-13(16)10-9-12(15)11(2)18-19(6,7)14(3,4)5/h9-12,15H,8H2,1-7H3/b10-9+/t11-,12-/m1/s1
InChIKeyRXPVQCWVKQYMHW-CZHKVUGUSA-N
XLogP2.88
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enoate?
The IUPAC name of ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enoate (CID 11493008) is ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enoate.
What is the SMILES notation for ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enoate?
The canonical SMILES for ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enoate is CCOC(=O)/C=C/[C@@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enoate?
The InChIKey is RXPVQCWVKQYMHW-CZHKVUGUSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-8-17-13(16)10-9-12(15)11(2)18-19(6,7)14(3,4)5/h9-12,15H,8H2,1-7H3/b10-9+/t11-,12-/m1/s1.
What are the key properties of ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enoate?
ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enoate has a molecular weight of 288.46 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enoate is sourced from PubChem (CID 11493008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).