tert-butyl N-[(3S,4R)-4-trimethylsilyloxyoxolan-3-yl]carbamate

C12H25NO4Si — CID 134848783

IUPACtert-butyl N-[(3S,4R)-4-trimethylsilyloxyoxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1COC[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C12H25NO4Si/c1-12(2,3)16-11(14)13-9-7-15-8-10(9)17-18(4,5)6/h9-10H,7-8H2,1-6H3,(H,13,14)/t9-,10-/m0/s1
InChIKeyDIMNQNMRZJPSEB-UWVGGRQHSA-N
MW275.42 g/mol
LogP2.13
Rot. Bonds3

About tert-butyl N-[(3S,4R)-4-trimethylsilyloxyoxolan-3-yl]carbamate

tert-butyl N-[(3S,4R)-4-trimethylsilyloxyoxolan-3-yl]carbamate (PubChem CID 134848783) has the molecular formula C12H25NO4Si and a molecular weight of 275.42 g/mol. Its IUPAC name is tert-butyl N-[(3S,4R)-4-trimethylsilyloxyoxolan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,4R)-4-trimethylsilyloxyoxolan-3-yl]carbamate
PubChem CID134848783
Molecular FormulaC12H25NO4Si
Molecular Weight275.42 g/mol
Exact Mass275.16
IUPAC Nametert-butyl N-[(3S,4R)-4-trimethylsilyloxyoxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1COC[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C12H25NO4Si/c1-12(2,3)16-11(14)13-9-7-15-8-10(9)17-18(4,5)6/h9-10H,7-8H2,1-6H3,(H,13,14)/t9-,10-/m0/s1
InChIKeyDIMNQNMRZJPSEB-UWVGGRQHSA-N
XLogP2.13
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 tert-butyl N-[(3S,4R)-4-trimethylsilyloxyoxolan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,4R)-4-trimethylsilyloxyoxolan-3-yl]carbamate (CID 134848783) is tert-butyl N-[(3S,4R)-4-trimethylsilyloxyoxolan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,4R)-4-trimethylsilyloxyoxolan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,4R)-4-trimethylsilyloxyoxolan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1O[Si](C)(C)C.
What is the InChIKey of tert-butyl N-[(3S,4R)-4-trimethylsilyloxyoxolan-3-yl]carbamate?
The InChIKey is DIMNQNMRZJPSEB-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H25NO4Si/c1-12(2,3)16-11(14)13-9-7-15-8-10(9)17-18(4,5)6/h9-10H,7-8H2,1-6H3,(H,13,14)/t9-,10-/m0/s1.
What are the key properties of tert-butyl N-[(3S,4R)-4-trimethylsilyloxyoxolan-3-yl]carbamate?
tert-butyl N-[(3S,4R)-4-trimethylsilyloxyoxolan-3-yl]carbamate has a molecular weight of 275.42 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,4R)-4-trimethylsilyloxyoxolan-3-yl]carbamate is sourced from PubChem (CID 134848783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).