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

C12H24O4Si — CID 90460201

IUPAC5-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC1CCC(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)
InChIKeyRVYDPMRYIXXKCJ-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.64
Rot. Bonds3

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

5-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid (PubChem CID 90460201) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid
PubChem CID90460201
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC1CCC(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)
InChIKeyRVYDPMRYIXXKCJ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid (CID 90460201) is 5-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid is CC(C)(C)[Si](C)(C)OC1CCC(C(=O)O)OC1.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid?
The InChIKey is RVYDPMRYIXXKCJ-UHFFFAOYSA-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).
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid?
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 5-[tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid is sourced from PubChem (CID 90460201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).