(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid

C12H24O4Si — CID 131749971

IUPAC(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@H](C(=O)O)OC1
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-9-6-7-10(11(13)14)15-8-9/h9-10H,6-8H2,1-5H3,(H,13,14)/t9-,10+/m1/s1
InChIKeyRVYDPMRYIXXKCJ-ZJUUUORDSA-N
MW260.41 g/mol
LogP2.64
Rot. Bonds3

About (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid

(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid (PubChem CID 131749971) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid
PubChem CID131749971
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@H](C(=O)O)OC1
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-9-6-7-10(11(13)14)15-8-9/h9-10H,6-8H2,1-5H3,(H,13,14)/t9-,10+/m1/s1
InChIKeyRVYDPMRYIXXKCJ-ZJUUUORDSA-N
XLogP2.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R,6S)-4-(tert-butyldimethylsilyloxy)-6-(hydroxymethyl)-tetrahydropyran-2-one
CID 10659025
4-[Tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
CID 15189735
ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
CID 23631762
ethyl (2R,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
CID 24823367
3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoic acid
CID 134882512
ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
CID 135038443
ethyl (2S,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
CID 178342107
6-Hydroxymethyl-4-(tert-butyldimethylsilyloxy)-(4s,6r)-tetrahydro-2h-2-pyranone
CID 9943134
4,5-Dihydroxy-6-(hydroxymethyl)-3-trimethylsilyloxyoxan-2-one
CID 17773831
3-[(2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid
CID 22859773
(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxane-2-carboxylic acid
CID 53767814
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
CID 58858602

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid?
The IUPAC name of (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid (CID 131749971) is (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid.
What is the SMILES notation for (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid?
The canonical SMILES for (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid is CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@H](C(=O)O)OC1.
What is the InChIKey of (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid?
The InChIKey is RVYDPMRYIXXKCJ-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-9-6-7-10(11(13)14)15-8-9/h9-10H,6-8H2,1-5H3,(H,13,14)/t9-,10+/m1/s1.
What are the key properties of (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid?
(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid has a molecular weight of 260.41 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid is sourced from PubChem (CID 131749971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).