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

C13H28N2O2Si — CID 155759605

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-1,3-diazinan-2-one
SMILESCN1CCCN(CCO[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C13H28N2O2Si/c1-13(2,3)18(5,6)17-11-10-15-9-7-8-14(4)12(15)16/h7-11H2,1-6H3
InChIKeySQINZHQNCLRTCH-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.77
Rot. Bonds4

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

1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-1,3-diazinan-2-one (PubChem CID 155759605) has the molecular formula C13H28N2O2Si and a molecular weight of 272.46 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-1,3-diazinan-2-one
PubChem CID155759605
Molecular FormulaC13H28N2O2Si
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-1,3-diazinan-2-one
SMILESCN1CCCN(CCO[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C13H28N2O2Si/c1-13(2,3)18(5,6)17-11-10-15-9-7-8-14(4)12(15)16/h7-11H2,1-6H3
InChIKeySQINZHQNCLRTCH-UHFFFAOYSA-N
XLogP2.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.77
H-Bond Donors ≤ 50
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]-3-methyl-1,3-diazinan-2-one?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-1,3-diazinan-2-one (CID 155759605) is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-1,3-diazinan-2-one.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-1,3-diazinan-2-one?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-1,3-diazinan-2-one is CN1CCCN(CCO[Si](C)(C)C(C)(C)C)C1=O.
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-1,3-diazinan-2-one?
The InChIKey is SQINZHQNCLRTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2Si/c1-13(2,3)18(5,6)17-11-10-15-9-7-8-14(4)12(15)16/h7-11H2,1-6H3.
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-1,3-diazinan-2-one?
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-1,3-diazinan-2-one has a molecular weight of 272.46 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-1,3-diazinan-2-one is sourced from PubChem (CID 155759605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).