(3R,4S)-4-phenyl-3-trimethylsilyloxetan-2-one

C12H16O2Si — CID 15032182

IUPAC(3R,4S)-4-phenyl-3-trimethylsilyloxetan-2-one
SMILESC[Si](C)(C)[C@H]1C(=O)O[C@H]1c1ccccc1
InChIInChI=1S/C12H16O2Si/c1-15(2,3)11-10(14-12(11)13)9-7-5-4-6-8-9/h4-8,10-11H,1-3H3/t10-,11+/m0/s1
InChIKeyNZTMHYPJIYOBKP-WDEREUQCSA-N
MW220.34 g/mol
LogP2.99
Rot. Bonds2

About (3R,4S)-4-phenyl-3-trimethylsilyloxetan-2-one

(3R,4S)-4-phenyl-3-trimethylsilyloxetan-2-one (PubChem CID 15032182) has the molecular formula C12H16O2Si and a molecular weight of 220.34 g/mol. Its IUPAC name is (3R,4S)-4-phenyl-3-trimethylsilyloxetan-2-one.

Molecular Properties

Compound Name(3R,4S)-4-phenyl-3-trimethylsilyloxetan-2-one
PubChem CID15032182
Molecular FormulaC12H16O2Si
Molecular Weight220.34 g/mol
Exact Mass220.09
IUPAC Name(3R,4S)-4-phenyl-3-trimethylsilyloxetan-2-one
SMILESC[Si](C)(C)[C@H]1C(=O)O[C@H]1c1ccccc1
InChIInChI=1S/C12H16O2Si/c1-15(2,3)11-10(14-12(11)13)9-7-5-4-6-8-9/h4-8,10-11H,1-3H3/t10-,11+/m0/s1
InChIKeyNZTMHYPJIYOBKP-WDEREUQCSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-phenyl-3-trimethylsilyloxetan-2-one?
The IUPAC name of (3R,4S)-4-phenyl-3-trimethylsilyloxetan-2-one (CID 15032182) is (3R,4S)-4-phenyl-3-trimethylsilyloxetan-2-one.
What is the SMILES notation for (3R,4S)-4-phenyl-3-trimethylsilyloxetan-2-one?
The canonical SMILES for (3R,4S)-4-phenyl-3-trimethylsilyloxetan-2-one is C[Si](C)(C)[C@H]1C(=O)O[C@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-4-phenyl-3-trimethylsilyloxetan-2-one?
The InChIKey is NZTMHYPJIYOBKP-WDEREUQCSA-N. The full InChI is InChI=1S/C12H16O2Si/c1-15(2,3)11-10(14-12(11)13)9-7-5-4-6-8-9/h4-8,10-11H,1-3H3/t10-,11+/m0/s1.
What are the key properties of (3R,4S)-4-phenyl-3-trimethylsilyloxetan-2-one?
(3R,4S)-4-phenyl-3-trimethylsilyloxetan-2-one has a molecular weight of 220.34 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-phenyl-3-trimethylsilyloxetan-2-one is sourced from PubChem (CID 15032182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).