5-[tri(propan-2-yl)silylmethoxy]-1,3-diazinan-2-one

C14H30N2O2Si — CID 123948141

IUPAC5-[tri(propan-2-yl)silylmethoxy]-1,3-diazinan-2-one
SMILESCC(C)[Si](COC1CNC(=O)NC1)(C(C)C)C(C)C
InChIInChI=1S/C14H30N2O2Si/c1-10(2)19(11(3)4,12(5)6)9-18-13-7-15-14(17)16-8-13/h10-13H,7-9H2,1-6H3,(H2,15,16,17)
InChIKeyIPBQYZBLJZZLBF-UHFFFAOYSA-N
MW286.49 g/mol
LogP2.90
Rot. Bonds6

About 5-[tri(propan-2-yl)silylmethoxy]-1,3-diazinan-2-one

5-[tri(propan-2-yl)silylmethoxy]-1,3-diazinan-2-one (PubChem CID 123948141) has the molecular formula C14H30N2O2Si and a molecular weight of 286.49 g/mol. Its IUPAC name is 5-[tri(propan-2-yl)silylmethoxy]-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-[tri(propan-2-yl)silylmethoxy]-1,3-diazinan-2-one
PubChem CID123948141
Molecular FormulaC14H30N2O2Si
Molecular Weight286.49 g/mol
Exact Mass286.21
IUPAC Name5-[tri(propan-2-yl)silylmethoxy]-1,3-diazinan-2-one
SMILESCC(C)[Si](COC1CNC(=O)NC1)(C(C)C)C(C)C
InChIInChI=1S/C14H30N2O2Si/c1-10(2)19(11(3)4,12(5)6)9-18-13-7-15-14(17)16-8-13/h10-13H,7-9H2,1-6H3,(H2,15,16,17)
InChIKeyIPBQYZBLJZZLBF-UHFFFAOYSA-N
XLogP2.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 52.90
H-Bond Donors ≤ 52
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 5-[tri(propan-2-yl)silylmethoxy]-1,3-diazinan-2-one?
The IUPAC name of 5-[tri(propan-2-yl)silylmethoxy]-1,3-diazinan-2-one (CID 123948141) is 5-[tri(propan-2-yl)silylmethoxy]-1,3-diazinan-2-one.
What is the SMILES notation for 5-[tri(propan-2-yl)silylmethoxy]-1,3-diazinan-2-one?
The canonical SMILES for 5-[tri(propan-2-yl)silylmethoxy]-1,3-diazinan-2-one is CC(C)[Si](COC1CNC(=O)NC1)(C(C)C)C(C)C.
What is the InChIKey of 5-[tri(propan-2-yl)silylmethoxy]-1,3-diazinan-2-one?
The InChIKey is IPBQYZBLJZZLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2Si/c1-10(2)19(11(3)4,12(5)6)9-18-13-7-15-14(17)16-8-13/h10-13H,7-9H2,1-6H3,(H2,15,16,17).
What are the key properties of 5-[tri(propan-2-yl)silylmethoxy]-1,3-diazinan-2-one?
5-[tri(propan-2-yl)silylmethoxy]-1,3-diazinan-2-one has a molecular weight of 286.49 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tri(propan-2-yl)silylmethoxy]-1,3-diazinan-2-one is sourced from PubChem (CID 123948141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).