2-[(2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolan-2-yl]acetic acid

C13H26O4Si — CID 23726631

IUPAC2-[(2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolan-2-yl]acetic acid
SMILESC[C@@H]1O[C@H](CC(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O4Si/c1-9-11(7-10(16-9)8-12(14)15)17-18(5,6)13(2,3)4/h9-11H,7-8H2,1-6H3,(H,14,15)/t9-,10-,11+/m0/s1
InChIKeyDZDGKIHTXKYPLW-GARJFASQSA-N
MW274.43 g/mol
LogP3.03
Rot. Bonds4

About 2-[(2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolan-2-yl]acetic acid

2-[(2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolan-2-yl]acetic acid (PubChem CID 23726631) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-[(2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolan-2-yl]acetic acid
PubChem CID23726631
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name2-[(2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolan-2-yl]acetic acid
SMILESC[C@@H]1O[C@H](CC(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O4Si/c1-9-11(7-10(16-9)8-12(14)15)17-18(5,6)13(2,3)4/h9-11H,7-8H2,1-6H3,(H,14,15)/t9-,10-,11+/m0/s1
InChIKeyDZDGKIHTXKYPLW-GARJFASQSA-N
XLogP3.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.03
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

(5R)-5-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one
CID 10779889
(5S)-5-[[tert-butyl(dimethyl)silyl]oxy-[(2S)-5-oxooxolan-2-yl]methyl]oxolan-2-one
CID 14658518
ethyl (2S)-2-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-hydroxyacetate
CID 24873843
(2R,3S,3aS,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 71733140
(2R,3S,3aR,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 102341292
(5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]oxolan-2-one
CID 134840108
tert-butyl (3R,5S)-3,5-dihydroxy-5-[(2S,3R)-3-trimethylsilyloxiran-2-yl]pentanoate
CID 134879057
ethyl (2R)-2-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-hydroxyacetate
CID 135013071
3,6-Anhydro-2,8-dideoxy-5-O-tert-butyldimethylsilyl-L-glycero-L-gluco-octano-1,4-lactone
CID 139050173
3,6-anhydro-2,8-dideoxy-5-O-tert-butyldimethylsilyl-D-glycero-L-gluco-octano-1,4-lactone
CID 139050174
3,6-Anhydro-2,8-dideoxy-5-O-tert-butyldimethylsilyl-D-glycero-D-gluco-octano-1,4-lactone
CID 139050175
3,6-anhydro-2,8-dideoxy-5-O-tert-butyldimethylsilyl-L-glycero-D-gluco-octano-1,4-lactone
CID 139050176

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolan-2-yl]acetic acid?
The IUPAC name of 2-[(2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolan-2-yl]acetic acid (CID 23726631) is 2-[(2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolan-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolan-2-yl]acetic acid?
The canonical SMILES for 2-[(2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolan-2-yl]acetic acid is C[C@@H]1O[C@H](CC(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolan-2-yl]acetic acid?
The InChIKey is DZDGKIHTXKYPLW-GARJFASQSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-9-11(7-10(16-9)8-12(14)15)17-18(5,6)13(2,3)4/h9-11H,7-8H2,1-6H3,(H,14,15)/t9-,10-,11+/m0/s1.
What are the key properties of 2-[(2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolan-2-yl]acetic acid?
2-[(2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolan-2-yl]acetic acid has a molecular weight of 274.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolan-2-yl]acetic acid is sourced from PubChem (CID 23726631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).