(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-one

C13H24O3Si — CID 11161185

IUPAC(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-one
SMILESC=CC[C@@H]1C(=O)OC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O3Si/c1-7-8-10-11(9-15-12(10)14)16-17(5,6)13(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t10-,11-/m0/s1
InChIKeyXEGXBDLPEBEMBN-QWRGUYRKSA-N
MW256.42 g/mol
LogP3.13
Rot. Bonds4

About (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-one

(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-one (PubChem CID 11161185) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-one.

Molecular Properties

Compound Name(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-one
PubChem CID11161185
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-one
SMILESC=CC[C@@H]1C(=O)OC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O3Si/c1-7-8-10-11(9-15-12(10)14)16-17(5,6)13(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t10-,11-/m0/s1
InChIKeyXEGXBDLPEBEMBN-QWRGUYRKSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-one?
The IUPAC name of (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-one (CID 11161185) is (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-one.
What is the SMILES notation for (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-one?
The canonical SMILES for (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-one is C=CC[C@@H]1C(=O)OC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-one?
The InChIKey is XEGXBDLPEBEMBN-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-7-8-10-11(9-15-12(10)14)16-17(5,6)13(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t10-,11-/m0/s1.
What are the key properties of (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-one?
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-one has a molecular weight of 256.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-one is sourced from PubChem (CID 11161185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).