1-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]pyrrolidin-2-one

C23H31NO2Si — CID 18318463

IUPAC1-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]pyrrolidin-2-one
SMILESCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1CCCC1=O
InChIInChI=1S/C23H31NO2Si/c1-19(24-17-11-16-22(24)25)18-26-27(23(2,3)4,20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-15,19H,11,16-18H2,1-4H3
InChIKeyJVAUHUYKDVXCBD-UHFFFAOYSA-N
MW381.59 g/mol
LogP3.57
Rot. Bonds6

About 1-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]pyrrolidin-2-one

1-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]pyrrolidin-2-one (PubChem CID 18318463) has the molecular formula C23H31NO2Si and a molecular weight of 381.59 g/mol. Its IUPAC name is 1-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]pyrrolidin-2-one
PubChem CID18318463
Molecular FormulaC23H31NO2Si
Molecular Weight381.59 g/mol
Exact Mass381.21
IUPAC Name1-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]pyrrolidin-2-one
SMILESCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1CCCC1=O
InChIInChI=1S/C23H31NO2Si/c1-19(24-17-11-16-22(24)25)18-26-27(23(2,3)4,20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-15,19H,11,16-18H2,1-4H3
InChIKeyJVAUHUYKDVXCBD-UHFFFAOYSA-N
XLogP3.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.59
LogP ≤ 53.57
H-Bond Donors ≤ 50
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-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]pyrrolidin-2-one (CID 18318463) is 1-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]pyrrolidin-2-one is CC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1CCCC1=O.
What is the InChIKey of 1-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]pyrrolidin-2-one?
The InChIKey is JVAUHUYKDVXCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2Si/c1-19(24-17-11-16-22(24)25)18-26-27(23(2,3)4,20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-15,19H,11,16-18H2,1-4H3.
What are the key properties of 1-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]pyrrolidin-2-one?
1-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]pyrrolidin-2-one has a molecular weight of 381.59 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 18318463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).