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

C22H30N2O2Si — CID 58834682

IUPAC1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,3-diazinan-2-one
SMILESCC(C)(C)[Si](OCCN1CCCNC1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30N2O2Si/c1-22(2,3)27(19-11-6-4-7-12-19,20-13-8-5-9-14-20)26-18-17-24-16-10-15-23-21(24)25/h4-9,11-14H,10,15-18H2,1-3H3,(H,23,25)
InChIKeyBWQMFHQWCYESQZ-UHFFFAOYSA-N
MW382.58 g/mol
LogP2.98
Rot. Bonds6

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

1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,3-diazinan-2-one (PubChem CID 58834682) has the molecular formula C22H30N2O2Si and a molecular weight of 382.58 g/mol. Its IUPAC name is 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,3-diazinan-2-one
PubChem CID58834682
Molecular FormulaC22H30N2O2Si
Molecular Weight382.58 g/mol
Exact Mass382.21
IUPAC Name1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,3-diazinan-2-one
SMILESCC(C)(C)[Si](OCCN1CCCNC1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30N2O2Si/c1-22(2,3)27(19-11-6-4-7-12-19,20-13-8-5-9-14-20)26-18-17-24-16-10-15-23-21(24)25/h4-9,11-14H,10,15-18H2,1-3H3,(H,23,25)
InChIKeyBWQMFHQWCYESQZ-UHFFFAOYSA-N
XLogP2.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.58
LogP ≤ 52.98
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(diphenyl)silyl]oxyethyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,3-diazinan-2-one (CID 58834682) is 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,3-diazinan-2-one is CC(C)(C)[Si](OCCN1CCCNC1=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,3-diazinan-2-one?
The InChIKey is BWQMFHQWCYESQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2Si/c1-22(2,3)27(19-11-6-4-7-12-19,20-13-8-5-9-14-20)26-18-17-24-16-10-15-23-21(24)25/h4-9,11-14H,10,15-18H2,1-3H3,(H,23,25).
What are the key properties of 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,3-diazinan-2-one?
1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,3-diazinan-2-one has a molecular weight of 382.58 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,3-diazinan-2-one is sourced from PubChem (CID 58834682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).