3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(morpholin-4-ylmethyl)isochromen-1-one

C22H33NO4Si — CID 123813735

IUPAC3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(morpholin-4-ylmethyl)isochromen-1-one
SMILESCC(O[Si](C)(C)C(C)(C)C)c1oc(=O)c2ccccc2c1CN1CCOCC1
InChIInChI=1S/C22H33NO4Si/c1-16(27-28(5,6)22(2,3)4)20-19(15-23-11-13-25-14-12-23)17-9-7-8-10-18(17)21(24)26-20/h7-10,16H,11-15H2,1-6H3
InChIKeyIMYGTVGAISQQDT-UHFFFAOYSA-N
MW403.60 g/mol
LogP4.71
Rot. Bonds5

About 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(morpholin-4-ylmethyl)isochromen-1-one

3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(morpholin-4-ylmethyl)isochromen-1-one (PubChem CID 123813735) has the molecular formula C22H33NO4Si and a molecular weight of 403.60 g/mol. Its IUPAC name is 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(morpholin-4-ylmethyl)isochromen-1-one.

Molecular Properties

Compound Name3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(morpholin-4-ylmethyl)isochromen-1-one
PubChem CID123813735
Molecular FormulaC22H33NO4Si
Molecular Weight403.60 g/mol
Exact Mass403.22
IUPAC Name3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(morpholin-4-ylmethyl)isochromen-1-one
SMILESCC(O[Si](C)(C)C(C)(C)C)c1oc(=O)c2ccccc2c1CN1CCOCC1
InChIInChI=1S/C22H33NO4Si/c1-16(27-28(5,6)22(2,3)4)20-19(15-23-11-13-25-14-12-23)17-9-7-8-10-18(17)21(24)26-20/h7-10,16H,11-15H2,1-6H3
InChIKeyIMYGTVGAISQQDT-UHFFFAOYSA-N
XLogP4.71
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.60
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(morpholin-4-ylmethyl)isochromen-1-one?
The IUPAC name of 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(morpholin-4-ylmethyl)isochromen-1-one (CID 123813735) is 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(morpholin-4-ylmethyl)isochromen-1-one.
What is the SMILES notation for 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(morpholin-4-ylmethyl)isochromen-1-one?
The canonical SMILES for 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(morpholin-4-ylmethyl)isochromen-1-one is CC(O[Si](C)(C)C(C)(C)C)c1oc(=O)c2ccccc2c1CN1CCOCC1.
What is the InChIKey of 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(morpholin-4-ylmethyl)isochromen-1-one?
The InChIKey is IMYGTVGAISQQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO4Si/c1-16(27-28(5,6)22(2,3)4)20-19(15-23-11-13-25-14-12-23)17-9-7-8-10-18(17)21(24)26-20/h7-10,16H,11-15H2,1-6H3.
What are the key properties of 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(morpholin-4-ylmethyl)isochromen-1-one?
3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(morpholin-4-ylmethyl)isochromen-1-one has a molecular weight of 403.60 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(morpholin-4-ylmethyl)isochromen-1-one is sourced from PubChem (CID 123813735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).