(4R)-4-(2-trimethylsilylethynyl)oxetan-2-one

C8H12O2Si — CID 11298189

IUPAC(4R)-4-(2-trimethylsilylethynyl)oxetan-2-one
SMILESC[Si](C)(C)C#C[C@H]1CC(=O)O1
InChIInChI=1S/C8H12O2Si/c1-11(2,3)5-4-7-6-8(9)10-7/h7H,6H2,1-3H3/t7-/m0/s1
InChIKeyAGBUIWGYOQVFIW-ZETCQYMHSA-N
MW168.27 g/mol
LogP1.18
Rot. Bonds

About (4R)-4-(2-trimethylsilylethynyl)oxetan-2-one

(4R)-4-(2-trimethylsilylethynyl)oxetan-2-one (PubChem CID 11298189) has the molecular formula C8H12O2Si and a molecular weight of 168.27 g/mol. Its IUPAC name is (4R)-4-(2-trimethylsilylethynyl)oxetan-2-one.

Molecular Properties

Compound Name(4R)-4-(2-trimethylsilylethynyl)oxetan-2-one
PubChem CID11298189
Molecular FormulaC8H12O2Si
Molecular Weight168.27 g/mol
Exact Mass168.06
IUPAC Name(4R)-4-(2-trimethylsilylethynyl)oxetan-2-one
SMILESC[Si](C)(C)C#C[C@H]1CC(=O)O1
InChIInChI=1S/C8H12O2Si/c1-11(2,3)5-4-7-6-8(9)10-7/h7H,6H2,1-3H3/t7-/m0/s1
InChIKeyAGBUIWGYOQVFIW-ZETCQYMHSA-N
XLogP1.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.27
LogP ≤ 51.18
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-trimethylsilylethynyl)-1,3-dioxan-2-one
CID 164665592
4-(2-trimethylsilylethynyl)azetidin-2-one
CID 10103534
2-(2-trimethylsilylethynyl)cyclobutan-1-one
CID 101016219
2-(2-trimethylsilylethynyl)cyclopentan-1-one
CID 172552152
4-methyloxetan-2-one;oxetan-2-one
CID 22715627
(4R)-4-ethyloxetan-2-one
CID 14325240
6-ethynyl-4-methyloxan-2-one
CID 89442177
5-trimethylsilylcyclohexane-1,3-dione
CID 71393140
(4S)-4-propan-2-yloxetan-2-one
CID 11126218
4,8-diethyl-1,5-dioxocane-2,6-dione
CID 171057524
(4R)-4-(aminomethyl)oxetan-2-one
CID 20656326
(3R,4R)-3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 15419098

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-trimethylsilylethynyl)oxetan-2-one?
The IUPAC name of (4R)-4-(2-trimethylsilylethynyl)oxetan-2-one (CID 11298189) is (4R)-4-(2-trimethylsilylethynyl)oxetan-2-one.
What is the SMILES notation for (4R)-4-(2-trimethylsilylethynyl)oxetan-2-one?
The canonical SMILES for (4R)-4-(2-trimethylsilylethynyl)oxetan-2-one is C[Si](C)(C)C#C[C@H]1CC(=O)O1.
What is the InChIKey of (4R)-4-(2-trimethylsilylethynyl)oxetan-2-one?
The InChIKey is AGBUIWGYOQVFIW-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12O2Si/c1-11(2,3)5-4-7-6-8(9)10-7/h7H,6H2,1-3H3/t7-/m0/s1.
What are the key properties of (4R)-4-(2-trimethylsilylethynyl)oxetan-2-one?
(4R)-4-(2-trimethylsilylethynyl)oxetan-2-one has a molecular weight of 168.27 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-trimethylsilylethynyl)oxetan-2-one is sourced from PubChem (CID 11298189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).