(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]oxetan-2-one

C13H24O4Si — CID 23726558

IUPAC(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]oxetan-2-one
SMILESCC(=O)[C@@H](C[C@@H]1CC(=O)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O4Si/c1-9(14)11(7-10-8-12(15)16-10)17-18(5,6)13(2,3)4/h10-11H,7-8H2,1-6H3/t10-,11-/m1/s1
InChIKeyKKSFISBLLBRQNW-GHMZBOCLSA-N
MW272.42 g/mol
LogP2.67
Rot. Bonds5

About (4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]oxetan-2-one

(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]oxetan-2-one (PubChem CID 23726558) has the molecular formula C13H24O4Si and a molecular weight of 272.42 g/mol. Its IUPAC name is (4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]oxetan-2-one.

Molecular Properties

Compound Name(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]oxetan-2-one
PubChem CID23726558
Molecular FormulaC13H24O4Si
Molecular Weight272.42 g/mol
Exact Mass272.14
IUPAC Name(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]oxetan-2-one
SMILESCC(=O)[C@@H](C[C@@H]1CC(=O)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O4Si/c1-9(14)11(7-10-8-12(15)16-10)17-18(5,6)13(2,3)4/h10-11H,7-8H2,1-6H3/t10-,11-/m1/s1
InChIKeyKKSFISBLLBRQNW-GHMZBOCLSA-N
XLogP2.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxetan-2-one
CID 134892692
(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxyoxan-2-one
CID 145945199
3-Trimethylsilyloxyheptanedioic acid, dimethyl ester
CID 552607
Methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate
CID 74025798
(3R,4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxyheptyl]-3-trimethylsilyloxetan-2-one
CID 10738069
(4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxyheptyl]oxetan-2-one
CID 10756660
methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate
CID 23241626
(3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-methyloxetan-2-one
CID 23726557
4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxyheptyl]-3-trimethylsilyloxetan-2-one
CID 101333015

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]oxetan-2-one?
The IUPAC name of (4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]oxetan-2-one (CID 23726558) is (4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]oxetan-2-one.
What is the SMILES notation for (4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]oxetan-2-one?
The canonical SMILES for (4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]oxetan-2-one is CC(=O)[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]oxy-3-oxobutyl]oxetan-2-one?
The InChIKey is KKSFISBLLBRQNW-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H24O4Si/c1-9(14)11(7-10-8-12(15)16-10)17-18(5,6)13(2,3)4/h10-11H,7-8H2,1-6H3/t10-,11-/m1/s1.
What are the key properties of (4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]oxetan-2-one?
(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]oxetan-2-one has a molecular weight of 272.42 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]oxetan-2-one is sourced from PubChem (CID 23726558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).