tert-butyl N-[(3R)-6,6-dimethyl-3-methylsilyloxan-3-yl]carbamate

C13H27NO3Si — CID 174002127

IUPACtert-butyl N-[(3R)-6,6-dimethyl-3-methylsilyloxan-3-yl]carbamate
SMILESC[SiH2][C@]1(NC(=O)OC(C)(C)C)CCC(C)(C)OC1
InChIInChI=1S/C13H27NO3Si/c1-11(2,3)17-10(15)14-13(18-6)8-7-12(4,5)16-9-13/h7-9,18H2,1-6H3,(H,14,15)/t13-/m1/s1
InChIKeyINYLNBFURXCWAA-CYBMUJFWSA-N
MW273.45 g/mol
LogP2.01
Rot. Bonds2

About tert-butyl N-[(3R)-6,6-dimethyl-3-methylsilyloxan-3-yl]carbamate

tert-butyl N-[(3R)-6,6-dimethyl-3-methylsilyloxan-3-yl]carbamate (PubChem CID 174002127) has the molecular formula C13H27NO3Si and a molecular weight of 273.45 g/mol. Its IUPAC name is tert-butyl N-[(3R)-6,6-dimethyl-3-methylsilyloxan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-6,6-dimethyl-3-methylsilyloxan-3-yl]carbamate
PubChem CID174002127
Molecular FormulaC13H27NO3Si
Molecular Weight273.45 g/mol
Exact Mass273.18
IUPAC Nametert-butyl N-[(3R)-6,6-dimethyl-3-methylsilyloxan-3-yl]carbamate
SMILESC[SiH2][C@]1(NC(=O)OC(C)(C)C)CCC(C)(C)OC1
InChIInChI=1S/C13H27NO3Si/c1-11(2,3)17-10(15)14-13(18-6)8-7-12(4,5)16-9-13/h7-9,18H2,1-6H3,(H,14,15)/t13-/m1/s1
InChIKeyINYLNBFURXCWAA-CYBMUJFWSA-N
XLogP2.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 52.01
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 tert-butyl N-[(3R)-6,6-dimethyl-3-methylsilyloxan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-6,6-dimethyl-3-methylsilyloxan-3-yl]carbamate (CID 174002127) is tert-butyl N-[(3R)-6,6-dimethyl-3-methylsilyloxan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-6,6-dimethyl-3-methylsilyloxan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-6,6-dimethyl-3-methylsilyloxan-3-yl]carbamate is C[SiH2][C@]1(NC(=O)OC(C)(C)C)CCC(C)(C)OC1.
What is the InChIKey of tert-butyl N-[(3R)-6,6-dimethyl-3-methylsilyloxan-3-yl]carbamate?
The InChIKey is INYLNBFURXCWAA-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H27NO3Si/c1-11(2,3)17-10(15)14-13(18-6)8-7-12(4,5)16-9-13/h7-9,18H2,1-6H3,(H,14,15)/t13-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-6,6-dimethyl-3-methylsilyloxan-3-yl]carbamate?
tert-butyl N-[(3R)-6,6-dimethyl-3-methylsilyloxan-3-yl]carbamate has a molecular weight of 273.45 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-6,6-dimethyl-3-methylsilyloxan-3-yl]carbamate is sourced from PubChem (CID 174002127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).