methyl 2-[5-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]acetate

C25H35NO4Si — CID 140682212

IUPACmethyl 2-[5-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]acetate
SMILESCOC(=O)CC1CCC(N)C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C25H35NO4Si/c1-25(2,3)31(20-11-7-5-8-12-20,21-13-9-6-10-14-21)29-18-23-22(26)16-15-19(30-23)17-24(27)28-4/h5-14,19,22-23H,15-18,26H2,1-4H3
InChIKeyNGWZXLOUUUXPLQ-UHFFFAOYSA-N
MW441.64 g/mol
LogP3.00
Rot. Bonds7

About methyl 2-[5-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]acetate

methyl 2-[5-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]acetate (PubChem CID 140682212) has the molecular formula C25H35NO4Si and a molecular weight of 441.64 g/mol. Its IUPAC name is methyl 2-[5-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]acetate
PubChem CID140682212
Molecular FormulaC25H35NO4Si
Molecular Weight441.64 g/mol
Exact Mass441.23
IUPAC Namemethyl 2-[5-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]acetate
SMILESCOC(=O)CC1CCC(N)C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C25H35NO4Si/c1-25(2,3)31(20-11-7-5-8-12-20,21-13-9-6-10-14-21)29-18-23-22(26)16-15-19(30-23)17-24(27)28-4/h5-14,19,22-23H,15-18,26H2,1-4H3
InChIKeyNGWZXLOUUUXPLQ-UHFFFAOYSA-N
XLogP3.00
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.64
LogP ≤ 53.00
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 methyl 2-[5-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]acetate?
The IUPAC name of methyl 2-[5-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]acetate (CID 140682212) is methyl 2-[5-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]acetate?
The canonical SMILES for methyl 2-[5-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]acetate is COC(=O)CC1CCC(N)C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of methyl 2-[5-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]acetate?
The InChIKey is NGWZXLOUUUXPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO4Si/c1-25(2,3)31(20-11-7-5-8-12-20,21-13-9-6-10-14-21)29-18-23-22(26)16-15-19(30-23)17-24(27)28-4/h5-14,19,22-23H,15-18,26H2,1-4H3.
What are the key properties of methyl 2-[5-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]acetate?
methyl 2-[5-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]acetate has a molecular weight of 441.64 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]acetate is sourced from PubChem (CID 140682212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).