(Z)-N-phenylmethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexan-1-imine

C25H51NO5Si4 — CID 91709819

IUPAC(Z)-N-phenylmethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexan-1-imine
SMILESCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(/C=N\OCc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C25H51NO5Si4/c1-21(28-32(2,3)4)24(30-34(8,9)10)25(31-35(11,12)13)23(29-33(5,6)7)19-26-27-20-22-17-15-14-16-18-22/h14-19,21,23-25H,20H2,1-13H3/b26-19-
InChIKeyPTKGVKJVMQEDBT-XHPQRKPJSA-N
MW558.03 g/mol
LogP7.09
Rot. Bonds15

About (Z)-N-phenylmethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexan-1-imine

(Z)-N-phenylmethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexan-1-imine (PubChem CID 91709819) has the molecular formula C25H51NO5Si4 and a molecular weight of 558.03 g/mol. Its IUPAC name is (Z)-N-phenylmethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexan-1-imine.

Molecular Properties

Compound Name(Z)-N-phenylmethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexan-1-imine
PubChem CID91709819
Molecular FormulaC25H51NO5Si4
Molecular Weight558.03 g/mol
Exact Mass557.28
IUPAC Name(Z)-N-phenylmethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexan-1-imine
SMILESCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(/C=N\OCc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C25H51NO5Si4/c1-21(28-32(2,3)4)24(30-34(8,9)10)25(31-35(11,12)13)23(29-33(5,6)7)19-26-27-20-22-17-15-14-16-18-22/h14-19,21,23-25H,20H2,1-13H3/b26-19-
InChIKeyPTKGVKJVMQEDBT-XHPQRKPJSA-N
XLogP7.09
TPSA58.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.03
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-phenylmethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexan-1-imine?
The IUPAC name of (Z)-N-phenylmethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexan-1-imine (CID 91709819) is (Z)-N-phenylmethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexan-1-imine.
What is the SMILES notation for (Z)-N-phenylmethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexan-1-imine?
The canonical SMILES for (Z)-N-phenylmethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexan-1-imine is CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(/C=N\OCc1ccccc1)O[Si](C)(C)C.
What is the InChIKey of (Z)-N-phenylmethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexan-1-imine?
The InChIKey is PTKGVKJVMQEDBT-XHPQRKPJSA-N. The full InChI is InChI=1S/C25H51NO5Si4/c1-21(28-32(2,3)4)24(30-34(8,9)10)25(31-35(11,12)13)23(29-33(5,6)7)19-26-27-20-22-17-15-14-16-18-22/h14-19,21,23-25H,20H2,1-13H3/b26-19-.
What are the key properties of (Z)-N-phenylmethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexan-1-imine?
(Z)-N-phenylmethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexan-1-imine has a molecular weight of 558.03 g/mol, XLogP of 7.09, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-phenylmethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexan-1-imine is sourced from PubChem (CID 91709819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).