(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.1.0]hex-1(5)-en-2-one

C11H18O4Si — CID 91867946

IUPAC(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.1.0]hex-1(5)-en-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C(=O)C2=C(O2)[C@@H]1O
InChIInChI=1S/C11H18O4Si/c1-11(2,3)16(4,5)15-8-6(12)9-10(14-9)7(8)13/h6,8,12H,1-5H3/t6-,8+/m1/s1
InChIKeyZWRFSGVZZPGUOM-SVRRBLITSA-N
MW242.35 g/mol
LogP1.56
Rot. Bonds2

About (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.1.0]hex-1(5)-en-2-one

(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.1.0]hex-1(5)-en-2-one (PubChem CID 91867946) has the molecular formula C11H18O4Si and a molecular weight of 242.35 g/mol. Its IUPAC name is (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.1.0]hex-1(5)-en-2-one.

Molecular Properties

Compound Name(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.1.0]hex-1(5)-en-2-one
PubChem CID91867946
Molecular FormulaC11H18O4Si
Molecular Weight242.35 g/mol
Exact Mass242.10
IUPAC Name(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.1.0]hex-1(5)-en-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C(=O)C2=C(O2)[C@@H]1O
InChIInChI=1S/C11H18O4Si/c1-11(2,3)16(4,5)15-8-6(12)9-10(14-9)7(8)13/h6,8,12H,1-5H3/t6-,8+/m1/s1
InChIKeyZWRFSGVZZPGUOM-SVRRBLITSA-N
XLogP1.56
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.1.0]hex-1(5)-en-2-one?
The IUPAC name of (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.1.0]hex-1(5)-en-2-one (CID 91867946) is (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.1.0]hex-1(5)-en-2-one.
What is the SMILES notation for (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.1.0]hex-1(5)-en-2-one?
The canonical SMILES for (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.1.0]hex-1(5)-en-2-one is CC(C)(C)[Si](C)(C)O[C@@H]1C(=O)C2=C(O2)[C@@H]1O.
What is the InChIKey of (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.1.0]hex-1(5)-en-2-one?
The InChIKey is ZWRFSGVZZPGUOM-SVRRBLITSA-N. The full InChI is InChI=1S/C11H18O4Si/c1-11(2,3)16(4,5)15-8-6(12)9-10(14-9)7(8)13/h6,8,12H,1-5H3/t6-,8+/m1/s1.
What are the key properties of (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.1.0]hex-1(5)-en-2-one?
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.1.0]hex-1(5)-en-2-one has a molecular weight of 242.35 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-oxabicyclo[3.1.0]hex-1(5)-en-2-one is sourced from PubChem (CID 91867946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).