1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-diazinan-2-one

C12H26N2O2Si — CID 140927699

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-diazinan-2-one
SMILESCC(C)(C)[Si](C)(C)OCCN1CCCNC1=O
InChIInChI=1S/C12H26N2O2Si/c1-12(2,3)17(4,5)16-10-9-14-8-6-7-13-11(14)15/h6-10H2,1-5H3,(H,13,15)
InChIKeyVSWFZOBTYAHRBN-UHFFFAOYSA-N
MW258.44 g/mol
LogP2.42
Rot. Bonds4

About 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-diazinan-2-one

1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-diazinan-2-one (PubChem CID 140927699) has the molecular formula C12H26N2O2Si and a molecular weight of 258.44 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-diazinan-2-one
PubChem CID140927699
Molecular FormulaC12H26N2O2Si
Molecular Weight258.44 g/mol
Exact Mass258.18
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-diazinan-2-one
SMILESCC(C)(C)[Si](C)(C)OCCN1CCCNC1=O
InChIInChI=1S/C12H26N2O2Si/c1-12(2,3)17(4,5)16-10-9-14-8-6-7-13-11(14)15/h6-10H2,1-5H3,(H,13,15)
InChIKeyVSWFZOBTYAHRBN-UHFFFAOYSA-N
XLogP2.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-diazinan-2-one (CID 140927699) is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-diazinan-2-one is CC(C)(C)[Si](C)(C)OCCN1CCCNC1=O.
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-diazinan-2-one?
The InChIKey is VSWFZOBTYAHRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2Si/c1-12(2,3)17(4,5)16-10-9-14-8-6-7-13-11(14)15/h6-10H2,1-5H3,(H,13,15).
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-diazinan-2-one?
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-diazinan-2-one has a molecular weight of 258.44 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-diazinan-2-one is sourced from PubChem (CID 140927699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).