2-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-3-morpholin-4-yl-5-propylcyclopent-2-en-1-one

C22H39NO4Si — CID 11729262

IUPAC2-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-3-morpholin-4-yl-5-propylcyclopent-2-en-1-one
SMILESCCCC1CC(N2CCOCC2)=C(C(=O)CCCO[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C22H39NO4Si/c1-7-9-17-16-18(23-11-14-26-15-12-23)20(21(17)25)19(24)10-8-13-27-28(5,6)22(2,3)4/h17H,7-16H2,1-6H3
InChIKeyLUFCADCTSSCOAC-UHFFFAOYSA-N
MW409.64 g/mol
LogP4.33
Rot. Bonds9

About 2-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-3-morpholin-4-yl-5-propylcyclopent-2-en-1-one

2-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-3-morpholin-4-yl-5-propylcyclopent-2-en-1-one (PubChem CID 11729262) has the molecular formula C22H39NO4Si and a molecular weight of 409.64 g/mol. Its IUPAC name is 2-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-3-morpholin-4-yl-5-propylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-3-morpholin-4-yl-5-propylcyclopent-2-en-1-one
PubChem CID11729262
Molecular FormulaC22H39NO4Si
Molecular Weight409.64 g/mol
Exact Mass409.26
IUPAC Name2-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-3-morpholin-4-yl-5-propylcyclopent-2-en-1-one
SMILESCCCC1CC(N2CCOCC2)=C(C(=O)CCCO[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C22H39NO4Si/c1-7-9-17-16-18(23-11-14-26-15-12-23)20(21(17)25)19(24)10-8-13-27-28(5,6)22(2,3)4/h17H,7-16H2,1-6H3
InChIKeyLUFCADCTSSCOAC-UHFFFAOYSA-N
XLogP4.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.64
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

2-Butanoyl-5-[tert-butyl(dimethyl)silyl]-3-morpholin-4-ylcyclopent-2-en-1-one
CID 11057271
2-Butanoyl-3-morpholin-4-yl-5-propylcyclopent-2-en-1-one
CID 24976737

Frequently Asked Questions

What is the IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-3-morpholin-4-yl-5-propylcyclopent-2-en-1-one?
The IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-3-morpholin-4-yl-5-propylcyclopent-2-en-1-one (CID 11729262) is 2-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-3-morpholin-4-yl-5-propylcyclopent-2-en-1-one.
What is the SMILES notation for 2-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-3-morpholin-4-yl-5-propylcyclopent-2-en-1-one?
The canonical SMILES for 2-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-3-morpholin-4-yl-5-propylcyclopent-2-en-1-one is CCCC1CC(N2CCOCC2)=C(C(=O)CCCO[Si](C)(C)C(C)(C)C)C1=O.
What is the InChIKey of 2-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-3-morpholin-4-yl-5-propylcyclopent-2-en-1-one?
The InChIKey is LUFCADCTSSCOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO4Si/c1-7-9-17-16-18(23-11-14-26-15-12-23)20(21(17)25)19(24)10-8-13-27-28(5,6)22(2,3)4/h17H,7-16H2,1-6H3.
What are the key properties of 2-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-3-morpholin-4-yl-5-propylcyclopent-2-en-1-one?
2-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-3-morpholin-4-yl-5-propylcyclopent-2-en-1-one has a molecular weight of 409.64 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-3-morpholin-4-yl-5-propylcyclopent-2-en-1-one is sourced from PubChem (CID 11729262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).