(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid

C12H24O4Si — CID 67078388

IUPAC(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@H]1COC[C@H](C(=O)O)C1
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-10-6-9(11(13)14)7-15-8-10/h9-10H,6-8H2,1-5H3,(H,13,14)/t9-,10-/m1/s1
InChIKeyONRHLENVEUHRNQ-NXEZZACHSA-N
MW260.41 g/mol
LogP2.50
Rot. Bonds3

About (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid

(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid (PubChem CID 67078388) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid.

Molecular Properties

Compound Name(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid
PubChem CID67078388
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@H]1COC[C@H](C(=O)O)C1
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-10-6-9(11(13)14)7-15-8-10/h9-10H,6-8H2,1-5H3,(H,13,14)/t9-,10-/m1/s1
InChIKeyONRHLENVEUHRNQ-NXEZZACHSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid?
The IUPAC name of (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid (CID 67078388) is (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid.
What is the SMILES notation for (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid?
The canonical SMILES for (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid is CC(C)(C)[Si](C)(C)O[C@H]1COC[C@H](C(=O)O)C1.
What is the InChIKey of (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid?
The InChIKey is ONRHLENVEUHRNQ-NXEZZACHSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-10-6-9(11(13)14)7-15-8-10/h9-10H,6-8H2,1-5H3,(H,13,14)/t9-,10-/m1/s1.
What are the key properties of (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid?
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid has a molecular weight of 260.41 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid is sourced from PubChem (CID 67078388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).