(2R,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carboxylic acid

C13H24O5Si — CID 10517488

IUPAC(2R,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carboxylic acid
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(=O)C[C@H]1C(=O)O
InChIInChI=1S/C13H24O5Si/c1-8(18-19(5,6)13(2,3)4)11-9(12(15)16)7-10(14)17-11/h8-9,11H,7H2,1-6H3,(H,15,16)/t8-,9-,11+/m1/s1
InChIKeyBOJYEWAZANMXID-KKZNHRDASA-N
MW288.42 g/mol
LogP2.41
Rot. Bonds4

About (2R,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carboxylic acid

(2R,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carboxylic acid (PubChem CID 10517488) has the molecular formula C13H24O5Si and a molecular weight of 288.42 g/mol. Its IUPAC name is (2R,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carboxylic acid
PubChem CID10517488
Molecular FormulaC13H24O5Si
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name(2R,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carboxylic acid
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(=O)C[C@H]1C(=O)O
InChIInChI=1S/C13H24O5Si/c1-8(18-19(5,6)13(2,3)4)11-9(12(15)16)7-10(14)17-11/h8-9,11H,7H2,1-6H3,(H,15,16)/t8-,9-,11+/m1/s1
InChIKeyBOJYEWAZANMXID-KKZNHRDASA-N
XLogP2.41
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-benzhydryl-3-[(2S,3S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carbonyl]-1,3-oxazolidin-2-one
CID 10530066
(4R)-4-benzhydryl-3-[(2R,3R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carbonyl]-1,3-oxazolidin-2-one
CID 11800198
(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxetan-2-one
CID 134892692
(4S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
CID 101045025
1-acetyl-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
CID 141372311
tert-butyl-(1-cyclopropylethoxy)-dimethylsilane
CID 22391705
(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 14358757
(2R,3S)-5-oxooxolane-2,3-dicarboxylic acid;5-oxooxolane-2,3-dicarboxylic acid
CID 160880182
(4R)-4-acetyl-1-[1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
CID 141191572
(3S,4S)-4-acetyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
CID 13488756
6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dimethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 67908531
(2R,3aR,6aS)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6a-methyl-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one
CID 155934217

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carboxylic acid (CID 10517488) is (2R,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carboxylic acid is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(=O)C[C@H]1C(=O)O.
What is the InChIKey of (2R,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carboxylic acid?
The InChIKey is BOJYEWAZANMXID-KKZNHRDASA-N. The full InChI is InChI=1S/C13H24O5Si/c1-8(18-19(5,6)13(2,3)4)11-9(12(15)16)7-10(14)17-11/h8-9,11H,7H2,1-6H3,(H,15,16)/t8-,9-,11+/m1/s1.
What are the key properties of (2R,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carboxylic acid?
(2R,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carboxylic acid has a molecular weight of 288.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carboxylic acid is sourced from PubChem (CID 10517488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).