trimethyl-[2-[2-[2-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-silylpropyl]phenoxy]ethoxy]ethoxy]ethyl]azanium

C28H51N2O7Si+ — CID 174038763

About trimethyl-[2-[2-[2-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-silylpropyl]phenoxy]ethoxy]ethoxy]ethyl]azanium

trimethyl-[2-[2-[2-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-silylpropyl]phenoxy]ethoxy]ethoxy]ethyl]azanium (PubChem CID 174038763) has the molecular formula C28H51N2O7Si+ and a molecular weight of 555.81 g/mol. Its IUPAC name is trimethyl-[2-[2-[2-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-silylpropyl]phenoxy]ethoxy]ethoxy]ethyl]azanium.

Molecular Properties

• Compound Name: trimethyl-[2-[2-[2-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-silylpropyl]phenoxy]ethoxy]ethoxy]ethyl]azanium
• PubChem CID: 174038763
• Molecular Formula: C28H51N2O7Si+
• Molecular Weight: 555.81 g/mol
• Exact Mass: 555.35
• IUPAC Name: trimethyl-[2-[2-[2-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-silylpropyl]phenoxy]ethoxy]ethoxy]ethyl]azanium
• SMILES: CC(C)(C)OC(=O)NC([SiH3])[C@@H](Cc1ccc(OCCOCCOCC[N+](C)(C)C)cc1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C28H50N2O7Si/c1-27(2,3)36-25(31)23(24(38)29-26(32)37-28(4,5)6)20-21-10-12-22(13-11-21)35-19-18-34-17-16-33-15-14-30(7,8)9/h10-13,23-24H,14-20H2,1-9,38H3/p+1/t23-,24?/m1/s1
• InChIKey: NETLBJLQVCQXAI-MIHMCVIASA-O
• XLogP: 2.52
• TPSA: 92.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.81
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[2-[2-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-silylpropyl]phenoxy]ethoxy]ethoxy]ethyl]azanium?

The IUPAC name of trimethyl-[2-[2-[2-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-silylpropyl]phenoxy]ethoxy]ethoxy]ethyl]azanium (CID 174038763) is trimethyl-[2-[2-[2-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-silylpropyl]phenoxy]ethoxy]ethoxy]ethyl]azanium.

What is the SMILES notation for trimethyl-[2-[2-[2-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-silylpropyl]phenoxy]ethoxy]ethoxy]ethyl]azanium?

The canonical SMILES for trimethyl-[2-[2-[2-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-silylpropyl]phenoxy]ethoxy]ethoxy]ethyl]azanium is CC(C)(C)OC(=O)NC([SiH3])[C@@H](Cc1ccc(OCCOCCOCC[N+](C)(C)C)cc1)C(=O)OC(C)(C)C.

What is the InChIKey of trimethyl-[2-[2-[2-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-silylpropyl]phenoxy]ethoxy]ethoxy]ethyl]azanium?

The InChIKey is NETLBJLQVCQXAI-MIHMCVIASA-O. The full InChI is InChI=1S/C28H50N2O7Si/c1-27(2,3)36-25(31)23(24(38)29-26(32)37-28(4,5)6)20-21-10-12-22(13-11-21)35-19-18-34-17-16-33-15-14-30(7,8)9/h10-13,23-24H,14-20H2,1-9,38H3/p+1/t23-,24?/m1/s1.

What are the key properties of trimethyl-[2-[2-[2-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-silylpropyl]phenoxy]ethoxy]ethoxy]ethyl]azanium?

trimethyl-[2-[2-[2-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-silylpropyl]phenoxy]ethoxy]ethoxy]ethyl]azanium has a molecular weight of 555.81 g/mol, XLogP of 2.52, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[2-[2-[2-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-silylpropyl]phenoxy]ethoxy]ethoxy]ethyl]azanium is sourced from PubChem (CID 174038763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).