(3E)-1-[tert-butyl(dimethyl)silyl]-4-[2-[butyl(dimethyl)silyl]oxyethyl]-3-[2-[(4-methoxyphenyl)methoxy]propylidene]azetidin-2-one

C28H49NO4Si2 — CID 70537338

About (3E)-1-[tert-butyl(dimethyl)silyl]-4-[2-[butyl(dimethyl)silyl]oxyethyl]-3-[2-[(4-methoxyphenyl)methoxy]propylidene]azetidin-2-one

(3E)-1-[tert-butyl(dimethyl)silyl]-4-[2-[butyl(dimethyl)silyl]oxyethyl]-3-[2-[(4-methoxyphenyl)methoxy]propylidene]azetidin-2-one (PubChem CID 70537338) has the molecular formula C28H49NO4Si2 and a molecular weight of 519.88 g/mol. Its IUPAC name is (3E)-1-[tert-butyl(dimethyl)silyl]-4-[2-[butyl(dimethyl)silyl]oxyethyl]-3-[2-[(4-methoxyphenyl)methoxy]propylidene]azetidin-2-one.

Molecular Properties

• Compound Name: (3E)-1-[tert-butyl(dimethyl)silyl]-4-[2-[butyl(dimethyl)silyl]oxyethyl]-3-[2-[(4-methoxyphenyl)methoxy]propylidene]azetidin-2-one
• PubChem CID: 70537338
• Molecular Formula: C28H49NO4Si2
• Molecular Weight: 519.88 g/mol
• Exact Mass: 519.32
• IUPAC Name: (3E)-1-[tert-butyl(dimethyl)silyl]-4-[2-[butyl(dimethyl)silyl]oxyethyl]-3-[2-[(4-methoxyphenyl)methoxy]propylidene]azetidin-2-one
• SMILES: CCCC[Si](C)(C)OCCC1/C(=C\C(C)OCc2ccc(OC)cc2)C(=O)N1[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C28H49NO4Si2/c1-11-12-19-34(7,8)33-18-17-26-25(27(30)29(26)35(9,10)28(3,4)5)20-22(2)32-21-23-13-15-24(31-6)16-14-23/h13-16,20,22,26H,11-12,17-19,21H2,1-10H3/b25-20+
• InChIKey: CFODQTPULSPCBU-LKUDQCMESA-N
• XLogP: 7.15
• TPSA: 48.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.88
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3E)-1-[tert-butyl(dimethyl)silyl]-4-[2-[butyl(dimethyl)silyl]oxyethyl]-3-[2-[(4-methoxyphenyl)methoxy]propylidene]azetidin-2-one?

The IUPAC name of (3E)-1-[tert-butyl(dimethyl)silyl]-4-[2-[butyl(dimethyl)silyl]oxyethyl]-3-[2-[(4-methoxyphenyl)methoxy]propylidene]azetidin-2-one (CID 70537338) is (3E)-1-[tert-butyl(dimethyl)silyl]-4-[2-[butyl(dimethyl)silyl]oxyethyl]-3-[2-[(4-methoxyphenyl)methoxy]propylidene]azetidin-2-one.

What is the SMILES notation for (3E)-1-[tert-butyl(dimethyl)silyl]-4-[2-[butyl(dimethyl)silyl]oxyethyl]-3-[2-[(4-methoxyphenyl)methoxy]propylidene]azetidin-2-one?

The canonical SMILES for (3E)-1-[tert-butyl(dimethyl)silyl]-4-[2-[butyl(dimethyl)silyl]oxyethyl]-3-[2-[(4-methoxyphenyl)methoxy]propylidene]azetidin-2-one is CCCC[Si](C)(C)OCCC1/C(=C\C(C)OCc2ccc(OC)cc2)C(=O)N1[Si](C)(C)C(C)(C)C.

What is the InChIKey of (3E)-1-[tert-butyl(dimethyl)silyl]-4-[2-[butyl(dimethyl)silyl]oxyethyl]-3-[2-[(4-methoxyphenyl)methoxy]propylidene]azetidin-2-one?

The InChIKey is CFODQTPULSPCBU-LKUDQCMESA-N. The full InChI is InChI=1S/C28H49NO4Si2/c1-11-12-19-34(7,8)33-18-17-26-25(27(30)29(26)35(9,10)28(3,4)5)20-22(2)32-21-23-13-15-24(31-6)16-14-23/h13-16,20,22,26H,11-12,17-19,21H2,1-10H3/b25-20+.

What are the key properties of (3E)-1-[tert-butyl(dimethyl)silyl]-4-[2-[butyl(dimethyl)silyl]oxyethyl]-3-[2-[(4-methoxyphenyl)methoxy]propylidene]azetidin-2-one?

(3E)-1-[tert-butyl(dimethyl)silyl]-4-[2-[butyl(dimethyl)silyl]oxyethyl]-3-[2-[(4-methoxyphenyl)methoxy]propylidene]azetidin-2-one has a molecular weight of 519.88 g/mol, XLogP of 7.15, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3E)-1-[tert-butyl(dimethyl)silyl]-4-[2-[butyl(dimethyl)silyl]oxyethyl]-3-[2-[(4-methoxyphenyl)methoxy]propylidene]azetidin-2-one is sourced from PubChem (CID 70537338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).