N,N-diethyl-5-phenylmethoxy-2-(trimethylsilylmethylidene)pent-3-enamide;bis(propan-2-ol);titanium(2+)

C26H45NO4SiTi — CID 134887506

About N,N-diethyl-5-phenylmethoxy-2-(trimethylsilylmethylidene)pent-3-enamide;bis(propan-2-ol);titanium(2+)

N,N-diethyl-5-phenylmethoxy-2-(trimethylsilylmethylidene)pent-3-enamide;bis(propan-2-ol);titanium(2+) (PubChem CID 134887506) has the molecular formula C26H45NO4SiTi and a molecular weight of 511.60 g/mol. Its IUPAC name is N,N-diethyl-5-phenylmethoxy-2-(trimethylsilylmethylidene)pent-3-enamide;bis(propan-2-ol);titanium(2+).

Molecular Properties

• Compound Name: N,N-diethyl-5-phenylmethoxy-2-(trimethylsilylmethylidene)pent-3-enamide;bis(propan-2-ol);titanium(2+)
• PubChem CID: 134887506
• Molecular Formula: C26H45NO4SiTi
• Molecular Weight: 511.60 g/mol
• Exact Mass: 511.26
• IUPAC Name: N,N-diethyl-5-phenylmethoxy-2-(trimethylsilylmethylidene)pent-3-enamide;bis(propan-2-ol);titanium(2+)
• SMILES: CC(C)O.CC(C)O.CCN(CC)C(=O)C(=[C-]\[Si](C)(C)C)/C=[C-]/COCc1ccccc1.[Ti+2]
• InChI: InChI=1S/C20H29NO2Si.2C3H8O.Ti/c1-6-21(7-2)20(22)19(17-24(3,4)5)14-11-15-23-16-18-12-9-8-10-13-18;2*1-3(2)4;/h8-10,12-14H,6-7,15-16H2,1-5H3;2*3-4H,1-2H3;/q-2;;;+2
• InChIKey: YPLKKTOJOAYYTM-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 70.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.60
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-phenylmethoxy-2-(trimethylsilylmethylidene)pent-3-enamide;bis(propan-2-ol);titanium(2+)?

The IUPAC name of N,N-diethyl-5-phenylmethoxy-2-(trimethylsilylmethylidene)pent-3-enamide;bis(propan-2-ol);titanium(2+) (CID 134887506) is N,N-diethyl-5-phenylmethoxy-2-(trimethylsilylmethylidene)pent-3-enamide;bis(propan-2-ol);titanium(2+).

What is the SMILES notation for N,N-diethyl-5-phenylmethoxy-2-(trimethylsilylmethylidene)pent-3-enamide;bis(propan-2-ol);titanium(2+)?

The canonical SMILES for N,N-diethyl-5-phenylmethoxy-2-(trimethylsilylmethylidene)pent-3-enamide;bis(propan-2-ol);titanium(2+) is CC(C)O.CC(C)O.CCN(CC)C(=O)C(=[C-]\[Si](C)(C)C)/C=[C-]/COCc1ccccc1.[Ti+2].

What is the InChIKey of N,N-diethyl-5-phenylmethoxy-2-(trimethylsilylmethylidene)pent-3-enamide;bis(propan-2-ol);titanium(2+)?

The InChIKey is YPLKKTOJOAYYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2Si.2C3H8O.Ti/c1-6-21(7-2)20(22)19(17-24(3,4)5)14-11-15-23-16-18-12-9-8-10-13-18;2*1-3(2)4;/h8-10,12-14H,6-7,15-16H2,1-5H3;2*3-4H,1-2H3;/q-2;;;+2.

What are the key properties of N,N-diethyl-5-phenylmethoxy-2-(trimethylsilylmethylidene)pent-3-enamide;bis(propan-2-ol);titanium(2+)?

N,N-diethyl-5-phenylmethoxy-2-(trimethylsilylmethylidene)pent-3-enamide;bis(propan-2-ol);titanium(2+) has a molecular weight of 511.60 g/mol, XLogP of 4.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-5-phenylmethoxy-2-(trimethylsilylmethylidene)pent-3-enamide;bis(propan-2-ol);titanium(2+) is sourced from PubChem (CID 134887506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).