tert-butyl N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-trimethylstannyl-2-pyridinyl]carbamate

C20H38N2O3SiSn — CID 163399095

IUPACtert-butyl N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-trimethylstannyl-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc([Sn](C)(C)C)ccc1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H29N2O3Si.3CH3.Sn/c1-16(2,3)22-15(20)19-14-13(10-9-11-18-14)12-21-23(7,8)17(4,5)6;;;;/h9-10H,12H2,1-8H3,(H,18,19,20);3*1H3;
InChIKeyFLUZEOBJKQPABJ-UHFFFAOYSA-N
MW501.33 g/mol
LogP5.50
Rot. Bonds5

About tert-butyl N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-trimethylstannyl-2-pyridinyl]carbamate

tert-butyl N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-trimethylstannyl-2-pyridinyl]carbamate (PubChem CID 163399095) has the molecular formula C20H38N2O3SiSn and a molecular weight of 501.33 g/mol. Its IUPAC name is tert-butyl N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-trimethylstannyl-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-trimethylstannyl-2-pyridinyl]carbamate
PubChem CID163399095
Molecular FormulaC20H38N2O3SiSn
Molecular Weight501.33 g/mol
Exact Mass502.17
IUPAC Nametert-butyl N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-trimethylstannyl-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc([Sn](C)(C)C)ccc1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H29N2O3Si.3CH3.Sn/c1-16(2,3)22-15(20)19-14-13(10-9-11-18-14)12-21-23(7,8)17(4,5)6;;;;/h9-10H,12H2,1-8H3,(H,18,19,20);3*1H3;
InChIKeyFLUZEOBJKQPABJ-UHFFFAOYSA-N
XLogP5.50
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.33
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-[4-amino-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-ynyl]carbamate
CID 168938504
2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyphenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 175994854
tert-butyl (E)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyphenyl]prop-2-enoate
CID 169432229
tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate
CID 12018888
tert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate
CID 10681361
methyl N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]carbamate
CID 67148148
tert-butyl N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]carbamate
CID 59853072
methyl 2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 175994841
4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyphenyl]but-3-en-2-one
CID 68803997
5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(dimethoxymethyl)-N-methylpyridin-2-amine
CID 154005626
tert-butyl N-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethyl)phenoxy]ethyl]carbamate
CID 147259528
tert-butyl N-[3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]phenyl]-3-oxopropyl]carbamate
CID 58241928

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-trimethylstannyl-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-trimethylstannyl-2-pyridinyl]carbamate (CID 163399095) is tert-butyl N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-trimethylstannyl-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-trimethylstannyl-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-trimethylstannyl-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1nc([Sn](C)(C)C)ccc1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-trimethylstannyl-2-pyridinyl]carbamate?
The InChIKey is FLUZEOBJKQPABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N2O3Si.3CH3.Sn/c1-16(2,3)22-15(20)19-14-13(10-9-11-18-14)12-21-23(7,8)17(4,5)6;;;;/h9-10H,12H2,1-8H3,(H,18,19,20);3*1H3;.
What are the key properties of tert-butyl N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-trimethylstannyl-2-pyridinyl]carbamate?
tert-butyl N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-trimethylstannyl-2-pyridinyl]carbamate has a molecular weight of 501.33 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-trimethylstannyl-2-pyridinyl]carbamate is sourced from PubChem (CID 163399095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).