2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolane-2-carboxylic acid

C13H26O4Si — CID 18467911

IUPAC2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolane-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCCC1(C(=O)O)CCCO1
InChIInChI=1S/C13H26O4Si/c1-12(2,3)18(4,5)17-10-8-13(11(14)15)7-6-9-16-13/h6-10H2,1-5H3,(H,14,15)
InChIKeyAAZACLCMOJMGAC-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.03
Rot. Bonds5

About 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolane-2-carboxylic acid

2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolane-2-carboxylic acid (PubChem CID 18467911) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolane-2-carboxylic acid
PubChem CID18467911
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolane-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCCC1(C(=O)O)CCCO1
InChIInChI=1S/C13H26O4Si/c1-12(2,3)18(4,5)17-10-8-13(11(14)15)7-6-9-16-13/h6-10H2,1-5H3,(H,14,15)
InChIKeyAAZACLCMOJMGAC-UHFFFAOYSA-N
XLogP3.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolane-2-carboxylic acid?
The IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolane-2-carboxylic acid (CID 18467911) is 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolane-2-carboxylic acid?
The canonical SMILES for 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolane-2-carboxylic acid is CC(C)(C)[Si](C)(C)OCCC1(C(=O)O)CCCO1.
What is the InChIKey of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolane-2-carboxylic acid?
The InChIKey is AAZACLCMOJMGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-12(2,3)18(4,5)17-10-8-13(11(14)15)7-6-9-16-13/h6-10H2,1-5H3,(H,14,15).
What are the key properties of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolane-2-carboxylic acid?
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolane-2-carboxylic acid has a molecular weight of 274.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 18467911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).