2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid

C17H32O6Si — CID 175807562

IUPAC2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid
SMILESCC1(C)OCC2(O1)C(CC(=O)O)COC2CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O6Si/c1-15(2,3)24(6,7)22-10-13-17(11-21-16(4,5)23-17)12(9-20-13)8-14(18)19/h12-13H,8-11H2,1-7H3,(H,18,19)
InChIKeyXIWUREXENWLIID-UHFFFAOYSA-N
MW360.52 g/mol
LogP3.02
Rot. Bonds5

About 2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid

2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid (PubChem CID 175807562) has the molecular formula C17H32O6Si and a molecular weight of 360.52 g/mol. Its IUPAC name is 2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid
PubChem CID175807562
Molecular FormulaC17H32O6Si
Molecular Weight360.52 g/mol
Exact Mass360.20
IUPAC Name2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid
SMILESCC1(C)OCC2(O1)C(CC(=O)O)COC2CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O6Si/c1-15(2,3)24(6,7)22-10-13-17(11-21-16(4,5)23-17)12(9-20-13)8-14(18)19/h12-13H,8-11H2,1-7H3,(H,18,19)
InChIKeyXIWUREXENWLIID-UHFFFAOYSA-N
XLogP3.02
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid?
The IUPAC name of 2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid (CID 175807562) is 2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid.
What is the SMILES notation for 2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid?
The canonical SMILES for 2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid is CC1(C)OCC2(O1)C(CC(=O)O)COC2CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid?
The InChIKey is XIWUREXENWLIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O6Si/c1-15(2,3)24(6,7)22-10-13-17(11-21-16(4,5)23-17)12(9-20-13)8-14(18)19/h12-13H,8-11H2,1-7H3,(H,18,19).
What are the key properties of 2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid?
2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid has a molecular weight of 360.52 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid is sourced from PubChem (CID 175807562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).