(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxetan-2-one

C12H24O3Si — CID 134892692

IUPAC(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxetan-2-one
SMILESC[C@H](C[C@@H]1CC(=O)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-9(7-10-8-11(13)14-10)15-16(5,6)12(2,3)4/h9-10H,7-8H2,1-6H3/t9-,10-/m1/s1
InChIKeyYUKSLCARCKONNV-NXEZZACHSA-N
MW244.41 g/mol
LogP3.10
Rot. Bonds4

About (4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxetan-2-one

(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxetan-2-one (PubChem CID 134892692) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is (4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxetan-2-one.

Molecular Properties

Compound Name(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxetan-2-one
PubChem CID134892692
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxetan-2-one
SMILESC[C@H](C[C@@H]1CC(=O)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-9(7-10-8-11(13)14-10)15-16(5,6)12(2,3)4/h9-10H,7-8H2,1-6H3/t9-,10-/m1/s1
InChIKeyYUKSLCARCKONNV-NXEZZACHSA-N
XLogP3.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-1,3-oxazolidin-2-one
CID 67130959
5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-1,3-oxazolidin-2-one
CID 67351430
(2R,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carboxylic acid
CID 10517488
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]pentan-2-ol
CID 132933670
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal
CID 102285060
(4S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
CID 101045025
(2R,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxirane-2-carbaldehyde
CID 11746885
(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(2R)-5-oxooxolan-2-yl]propanal
CID 10621168
butan-2-yloxy-tert-butyl-dimethylsilane;methane
CID 158755840
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one
CID 58858618
4-(propan-2-yloxymethyl)oxetan-2-one
CID 11829566
4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
CID 15189735

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxetan-2-one?
The IUPAC name of (4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxetan-2-one (CID 134892692) is (4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxetan-2-one.
What is the SMILES notation for (4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxetan-2-one?
The canonical SMILES for (4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxetan-2-one is C[C@H](C[C@@H]1CC(=O)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxetan-2-one?
The InChIKey is YUKSLCARCKONNV-NXEZZACHSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-9(7-10-8-11(13)14-10)15-16(5,6)12(2,3)4/h9-10H,7-8H2,1-6H3/t9-,10-/m1/s1.
What are the key properties of (4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxetan-2-one?
(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxetan-2-one has a molecular weight of 244.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxetan-2-one is sourced from PubChem (CID 134892692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).