7-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-6-azaspiro[3.5]nonane-6-carboxylic acid

C23H37NO4Si — CID 175972992

IUPAC7-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-6-azaspiro[3.5]nonane-6-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCC1CCC2(CCC2OCc2ccccc2)CN1C(=O)O
InChIInChI=1S/C23H37NO4Si/c1-22(2,3)29(4,5)28-16-19-11-13-23(17-24(19)21(25)26)14-12-20(23)27-15-18-9-7-6-8-10-18/h6-10,19-20H,11-17H2,1-5H3,(H,25,26)
InChIKeyLPCKIDVUHSWEGJ-UHFFFAOYSA-N
MW419.64 g/mol
LogP5.52
Rot. Bonds6

About 7-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-6-azaspiro[3.5]nonane-6-carboxylic acid

7-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-6-azaspiro[3.5]nonane-6-carboxylic acid (PubChem CID 175972992) has the molecular formula C23H37NO4Si and a molecular weight of 419.64 g/mol. Its IUPAC name is 7-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-6-azaspiro[3.5]nonane-6-carboxylic acid.

Molecular Properties

Compound Name7-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-6-azaspiro[3.5]nonane-6-carboxylic acid
PubChem CID175972992
Molecular FormulaC23H37NO4Si
Molecular Weight419.64 g/mol
Exact Mass419.25
IUPAC Name7-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-6-azaspiro[3.5]nonane-6-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCC1CCC2(CCC2OCc2ccccc2)CN1C(=O)O
InChIInChI=1S/C23H37NO4Si/c1-22(2,3)29(4,5)28-16-19-11-13-23(17-24(19)21(25)26)14-12-20(23)27-15-18-9-7-6-8-10-18/h6-10,19-20H,11-17H2,1-5H3,(H,25,26)
InChIKeyLPCKIDVUHSWEGJ-UHFFFAOYSA-N
XLogP5.52
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.64
LogP ≤ 55.52
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 7-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-6-azaspiro[3.5]nonane-6-carboxylic acid?
The IUPAC name of 7-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-6-azaspiro[3.5]nonane-6-carboxylic acid (CID 175972992) is 7-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-6-azaspiro[3.5]nonane-6-carboxylic acid.
What is the SMILES notation for 7-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-6-azaspiro[3.5]nonane-6-carboxylic acid?
The canonical SMILES for 7-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-6-azaspiro[3.5]nonane-6-carboxylic acid is CC(C)(C)[Si](C)(C)OCC1CCC2(CCC2OCc2ccccc2)CN1C(=O)O.
What is the InChIKey of 7-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-6-azaspiro[3.5]nonane-6-carboxylic acid?
The InChIKey is LPCKIDVUHSWEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO4Si/c1-22(2,3)29(4,5)28-16-19-11-13-23(17-24(19)21(25)26)14-12-20(23)27-15-18-9-7-6-8-10-18/h6-10,19-20H,11-17H2,1-5H3,(H,25,26).
What are the key properties of 7-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-6-azaspiro[3.5]nonane-6-carboxylic acid?
7-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-6-azaspiro[3.5]nonane-6-carboxylic acid has a molecular weight of 419.64 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-6-azaspiro[3.5]nonane-6-carboxylic acid is sourced from PubChem (CID 175972992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).