(3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one

C23H35NO2Si — CID 101353407

IUPAC(3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one
SMILESC=CCCC(O[Si](C)(C)C(C)(C)C)[C@@H]1[C@@H](c2ccccc2)C(=O)N1CC=C
InChIInChI=1S/C23H35NO2Si/c1-8-10-16-19(26-27(6,7)23(3,4)5)21-20(18-14-12-11-13-15-18)22(25)24(21)17-9-2/h8-9,11-15,19-21H,1-2,10,16-17H2,3-7H3/t19?,20-,21-/m1/s1
InChIKeyAUOGDMWENIRRSA-RWLBOTFQSA-N
MW385.62 g/mol
LogP5.52
Rot. Bonds9

About (3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one

(3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one (PubChem CID 101353407) has the molecular formula C23H35NO2Si and a molecular weight of 385.62 g/mol. Its IUPAC name is (3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one
PubChem CID101353407
Molecular FormulaC23H35NO2Si
Molecular Weight385.62 g/mol
Exact Mass385.24
IUPAC Name(3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one
SMILESC=CCCC(O[Si](C)(C)C(C)(C)C)[C@@H]1[C@@H](c2ccccc2)C(=O)N1CC=C
InChIInChI=1S/C23H35NO2Si/c1-8-10-16-19(26-27(6,7)23(3,4)5)21-20(18-14-12-11-13-15-18)22(25)24(21)17-9-2/h8-9,11-15,19-21H,1-2,10,16-17H2,3-7H3/t19?,20-,21-/m1/s1
InChIKeyAUOGDMWENIRRSA-RWLBOTFQSA-N
XLogP5.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.62
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one?
The IUPAC name of (3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one (CID 101353407) is (3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one?
The canonical SMILES for (3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one is C=CCCC(O[Si](C)(C)C(C)(C)C)[C@@H]1[C@@H](c2ccccc2)C(=O)N1CC=C.
What is the InChIKey of (3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one?
The InChIKey is AUOGDMWENIRRSA-RWLBOTFQSA-N. The full InChI is InChI=1S/C23H35NO2Si/c1-8-10-16-19(26-27(6,7)23(3,4)5)21-20(18-14-12-11-13-15-18)22(25)24(21)17-9-2/h8-9,11-15,19-21H,1-2,10,16-17H2,3-7H3/t19?,20-,21-/m1/s1.
What are the key properties of (3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one?
(3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one has a molecular weight of 385.62 g/mol, XLogP of 5.52, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one is sourced from PubChem (CID 101353407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).