2-benzyl-7-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethyl-2,5-diazaspiro[3.4]octane-3,6-dione

C21H32N2O3Si — CID 140925833

IUPAC2-benzyl-7-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethyl-2,5-diazaspiro[3.4]octane-3,6-dione
SMILESCC1C(O[Si](C)(C)C(C)(C)C)C(=O)N(C)C12CN(Cc1ccccc1)C2=O
InChIInChI=1S/C21H32N2O3Si/c1-15-17(26-27(6,7)20(2,3)4)18(24)22(5)21(15)14-23(19(21)25)13-16-11-9-8-10-12-16/h8-12,15,17H,13-14H2,1-7H3
InChIKeyRKSIEZWBLDAVOZ-UHFFFAOYSA-N
MW388.58 g/mol
LogP3.27
Rot. Bonds4

About 2-benzyl-7-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethyl-2,5-diazaspiro[3.4]octane-3,6-dione

2-benzyl-7-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethyl-2,5-diazaspiro[3.4]octane-3,6-dione (PubChem CID 140925833) has the molecular formula C21H32N2O3Si and a molecular weight of 388.58 g/mol. Its IUPAC name is 2-benzyl-7-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethyl-2,5-diazaspiro[3.4]octane-3,6-dione.

Molecular Properties

Compound Name2-benzyl-7-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethyl-2,5-diazaspiro[3.4]octane-3,6-dione
PubChem CID140925833
Molecular FormulaC21H32N2O3Si
Molecular Weight388.58 g/mol
Exact Mass388.22
IUPAC Name2-benzyl-7-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethyl-2,5-diazaspiro[3.4]octane-3,6-dione
SMILESCC1C(O[Si](C)(C)C(C)(C)C)C(=O)N(C)C12CN(Cc1ccccc1)C2=O
InChIInChI=1S/C21H32N2O3Si/c1-15-17(26-27(6,7)20(2,3)4)18(24)22(5)21(15)14-23(19(21)25)13-16-11-9-8-10-12-16/h8-12,15,17H,13-14H2,1-7H3
InChIKeyRKSIEZWBLDAVOZ-UHFFFAOYSA-N
XLogP3.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 53.27
H-Bond Donors ≤ 50
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 2-benzyl-7-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethyl-2,5-diazaspiro[3.4]octane-3,6-dione?
The IUPAC name of 2-benzyl-7-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethyl-2,5-diazaspiro[3.4]octane-3,6-dione (CID 140925833) is 2-benzyl-7-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethyl-2,5-diazaspiro[3.4]octane-3,6-dione.
What is the SMILES notation for 2-benzyl-7-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethyl-2,5-diazaspiro[3.4]octane-3,6-dione?
The canonical SMILES for 2-benzyl-7-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethyl-2,5-diazaspiro[3.4]octane-3,6-dione is CC1C(O[Si](C)(C)C(C)(C)C)C(=O)N(C)C12CN(Cc1ccccc1)C2=O.
What is the InChIKey of 2-benzyl-7-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethyl-2,5-diazaspiro[3.4]octane-3,6-dione?
The InChIKey is RKSIEZWBLDAVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3Si/c1-15-17(26-27(6,7)20(2,3)4)18(24)22(5)21(15)14-23(19(21)25)13-16-11-9-8-10-12-16/h8-12,15,17H,13-14H2,1-7H3.
What are the key properties of 2-benzyl-7-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethyl-2,5-diazaspiro[3.4]octane-3,6-dione?
2-benzyl-7-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethyl-2,5-diazaspiro[3.4]octane-3,6-dione has a molecular weight of 388.58 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethyl-2,5-diazaspiro[3.4]octane-3,6-dione is sourced from PubChem (CID 140925833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).