(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2,2-dihydroxyethenyl)oxan-2-one

C13H24O5Si — CID 163922960

IUPAC(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2,2-dihydroxyethenyl)oxan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=O)O[C@H](C=C(O)O)C1
InChIInChI=1S/C13H24O5Si/c1-13(2,3)19(4,5)18-10-6-9(7-11(14)15)17-12(16)8-10/h7,9-10,14-15H,6,8H2,1-5H3/t9-,10+/m0/s1
InChIKeyRCAMKMXFAWZZRT-VHSXEESVSA-N
MW288.42 g/mol
LogP3.04
Rot. Bonds3

About (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2,2-dihydroxyethenyl)oxan-2-one

(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2,2-dihydroxyethenyl)oxan-2-one (PubChem CID 163922960) has the molecular formula C13H24O5Si and a molecular weight of 288.42 g/mol. Its IUPAC name is (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2,2-dihydroxyethenyl)oxan-2-one.

Molecular Properties

Compound Name(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2,2-dihydroxyethenyl)oxan-2-one
PubChem CID163922960
Molecular FormulaC13H24O5Si
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2,2-dihydroxyethenyl)oxan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=O)O[C@H](C=C(O)O)C1
InChIInChI=1S/C13H24O5Si/c1-13(2,3)19(4,5)18-10-6-9(7-11(14)15)17-12(16)8-10/h7,9-10,14-15H,6,8H2,1-5H3/t9-,10+/m0/s1
InChIKeyRCAMKMXFAWZZRT-VHSXEESVSA-N
XLogP3.04
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2,2-dihydroxyethenyl)oxan-2-one?
The IUPAC name of (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2,2-dihydroxyethenyl)oxan-2-one (CID 163922960) is (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2,2-dihydroxyethenyl)oxan-2-one.
What is the SMILES notation for (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2,2-dihydroxyethenyl)oxan-2-one?
The canonical SMILES for (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2,2-dihydroxyethenyl)oxan-2-one is CC(C)(C)[Si](C)(C)O[C@H]1CC(=O)O[C@H](C=C(O)O)C1.
What is the InChIKey of (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2,2-dihydroxyethenyl)oxan-2-one?
The InChIKey is RCAMKMXFAWZZRT-VHSXEESVSA-N. The full InChI is InChI=1S/C13H24O5Si/c1-13(2,3)19(4,5)18-10-6-9(7-11(14)15)17-12(16)8-10/h7,9-10,14-15H,6,8H2,1-5H3/t9-,10+/m0/s1.
What are the key properties of (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2,2-dihydroxyethenyl)oxan-2-one?
(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2,2-dihydroxyethenyl)oxan-2-one has a molecular weight of 288.42 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2,2-dihydroxyethenyl)oxan-2-one is sourced from PubChem (CID 163922960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).