(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid

C13H26O5Si — CID 10356899

IUPAC(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
SMILESCC1(C)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](C(=O)O)O1
InChIInChI=1S/C13H26O5Si/c1-12(2,3)19(6,7)16-8-9-10(11(14)15)18-13(4,5)17-9/h9-10H,8H2,1-7H3,(H,14,15)/t9-,10+/m0/s1
InChIKeyOSILGBDEVGALRB-VHSXEESVSA-N
MW290.43 g/mol
LogP2.61
Rot. Bonds4

About (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid

(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid (PubChem CID 10356899) has the molecular formula C13H26O5Si and a molecular weight of 290.43 g/mol. Its IUPAC name is (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid.

Molecular Properties

Compound Name(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
PubChem CID10356899
Molecular FormulaC13H26O5Si
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
SMILESCC1(C)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](C(=O)O)O1
InChIInChI=1S/C13H26O5Si/c1-12(2,3)19(6,7)16-8-9-10(11(14)15)18-13(4,5)17-9/h9-10H,8H2,1-7H3,(H,14,15)/t9-,10+/m0/s1
InChIKeyOSILGBDEVGALRB-VHSXEESVSA-N
XLogP2.61
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.61
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

methyl (4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 14414632
Methyl 3,4-O-isopropylidene-L-threonate, TMS derivative
CID 91701873
(2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methyl-1,3-dioxolan-4-one
CID 134998093
methyl (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 10335211
(2S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxolan-4-one
CID 11277351
Methyl 3,4-O-isopropylidene-L-threonate, TBDMS derivative
CID 91701870
(4S,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 18664737
5-O-((1,1-Dimethylethyl)dimethylsilyl)-2,3-O-(1-methylethylidene)-D-ribose
CID 21969848
5-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one
CID 23241041
(+)-2,2-Dimethyl-5-oxo-1,3-dioxolane-4-acetic Acid, Tert-butyldimethylsilyl Ester
CID 23519143
(S)-5-[2-(tert-butyl-dimethyl-silanyloxy)-ethyl]-2,2-dimethyl-[1,3]dioxolan-4-one
CID 67299740
3-[[Tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylic acid
CID 85312510

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid?
The IUPAC name of (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid (CID 10356899) is (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid.
What is the SMILES notation for (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid?
The canonical SMILES for (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid is CC1(C)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](C(=O)O)O1.
What is the InChIKey of (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid?
The InChIKey is OSILGBDEVGALRB-VHSXEESVSA-N. The full InChI is InChI=1S/C13H26O5Si/c1-12(2,3)19(6,7)16-8-9-10(11(14)15)18-13(4,5)17-9/h9-10H,8H2,1-7H3,(H,14,15)/t9-,10+/m0/s1.
What are the key properties of (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid?
(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid has a molecular weight of 290.43 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid is sourced from PubChem (CID 10356899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).