2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)-2-trimethylsilyloxyethanamine

C23H51NO3Si5 — CID 599841

IUPAC2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)-2-trimethylsilyloxyethanamine
SMILESC[Si](C)(C)Oc1ccc(C(CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)cc1O[Si](C)(C)C
InChIInChI=1S/C23H51NO3Si5/c1-28(2,3)24(29(4,5)6)19-23(27-32(13,14)15)20-16-17-21(25-30(7,8)9)22(18-20)26-31(10,11)12/h16-18,23H,19H2,1-15H3
InChIKeyYFFNSQAKRAGXFE-UHFFFAOYSA-N
MW530.10 g/mol
LogP7.98
Rot. Bonds11

About 2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)-2-trimethylsilyloxyethanamine

2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)-2-trimethylsilyloxyethanamine (PubChem CID 599841) has the molecular formula C23H51NO3Si5 and a molecular weight of 530.10 g/mol. Its IUPAC name is 2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)-2-trimethylsilyloxyethanamine.

Molecular Properties

Compound Name2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)-2-trimethylsilyloxyethanamine
PubChem CID599841
Molecular FormulaC23H51NO3Si5
Molecular Weight530.10 g/mol
Exact Mass529.27
IUPAC Name2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)-2-trimethylsilyloxyethanamine
SMILESC[Si](C)(C)Oc1ccc(C(CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)cc1O[Si](C)(C)C
InChIInChI=1S/C23H51NO3Si5/c1-28(2,3)24(29(4,5)6)19-23(27-32(13,14)15)20-16-17-21(25-30(7,8)9)22(18-20)26-31(10,11)12/h16-18,23H,19H2,1-15H3
InChIKeyYFFNSQAKRAGXFE-UHFFFAOYSA-N
XLogP7.98
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.10
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)-2-trimethylsilyloxyethanamine?
The IUPAC name of 2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)-2-trimethylsilyloxyethanamine (CID 599841) is 2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)-2-trimethylsilyloxyethanamine.
What is the SMILES notation for 2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)-2-trimethylsilyloxyethanamine?
The canonical SMILES for 2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)-2-trimethylsilyloxyethanamine is C[Si](C)(C)Oc1ccc(C(CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)cc1O[Si](C)(C)C.
What is the InChIKey of 2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)-2-trimethylsilyloxyethanamine?
The InChIKey is YFFNSQAKRAGXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H51NO3Si5/c1-28(2,3)24(29(4,5)6)19-23(27-32(13,14)15)20-16-17-21(25-30(7,8)9)22(18-20)26-31(10,11)12/h16-18,23H,19H2,1-15H3.
What are the key properties of 2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)-2-trimethylsilyloxyethanamine?
2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)-2-trimethylsilyloxyethanamine has a molecular weight of 530.10 g/mol, XLogP of 7.98, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)-2-trimethylsilyloxyethanamine is sourced from PubChem (CID 599841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).