[1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]-1-oxo-5,5-diphenylpenta-2,4-dien-2-yl]-methylazanide

C30H48NO5Si4- — CID 91185256

IUPAC[1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]-1-oxo-5,5-diphenylpenta-2,4-dien-2-yl]-methylazanide
SMILESC[N-]C(=CC=C(c1ccccc1)c1ccccc1)C(=O)OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C30H48NO5Si4/c1-31-29(23-22-28(26-18-13-11-14-19-26)27-20-15-12-16-21-27)30(32)33-24-17-25-40(10,35-38(5,6)7)36-39(8,9)34-37(2,3)4/h11-16,18-23H,17,24-25H2,1-10H3/q-1
InChIKeyFKGCYLJRYBFNIM-UHFFFAOYSA-N
MW615.06 g/mol
LogP8.43
Rot. Bonds15

About [1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]-1-oxo-5,5-diphenylpenta-2,4-dien-2-yl]-methylazanide

[1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]-1-oxo-5,5-diphenylpenta-2,4-dien-2-yl]-methylazanide (PubChem CID 91185256) has the molecular formula C30H48NO5Si4- and a molecular weight of 615.06 g/mol. Its IUPAC name is [1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]-1-oxo-5,5-diphenylpenta-2,4-dien-2-yl]-methylazanide.

Molecular Properties

Compound Name[1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]-1-oxo-5,5-diphenylpenta-2,4-dien-2-yl]-methylazanide
PubChem CID91185256
Molecular FormulaC30H48NO5Si4-
Molecular Weight615.06 g/mol
Exact Mass614.26
IUPAC Name[1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]-1-oxo-5,5-diphenylpenta-2,4-dien-2-yl]-methylazanide
SMILESC[N-]C(=CC=C(c1ccccc1)c1ccccc1)C(=O)OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C30H48NO5Si4/c1-31-29(23-22-28(26-18-13-11-14-19-26)27-20-15-12-16-21-27)30(32)33-24-17-25-40(10,35-38(5,6)7)36-39(8,9)34-37(2,3)4/h11-16,18-23H,17,24-25H2,1-10H3/q-1
InChIKeyFKGCYLJRYBFNIM-UHFFFAOYSA-N
XLogP8.43
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.06
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]-1-oxo-5,5-diphenylpenta-2,4-dien-2-yl]-methylazanide?
The IUPAC name of [1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]-1-oxo-5,5-diphenylpenta-2,4-dien-2-yl]-methylazanide (CID 91185256) is [1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]-1-oxo-5,5-diphenylpenta-2,4-dien-2-yl]-methylazanide.
What is the SMILES notation for [1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]-1-oxo-5,5-diphenylpenta-2,4-dien-2-yl]-methylazanide?
The canonical SMILES for [1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]-1-oxo-5,5-diphenylpenta-2,4-dien-2-yl]-methylazanide is C[N-]C(=CC=C(c1ccccc1)c1ccccc1)C(=O)OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of [1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]-1-oxo-5,5-diphenylpenta-2,4-dien-2-yl]-methylazanide?
The InChIKey is FKGCYLJRYBFNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48NO5Si4/c1-31-29(23-22-28(26-18-13-11-14-19-26)27-20-15-12-16-21-27)30(32)33-24-17-25-40(10,35-38(5,6)7)36-39(8,9)34-37(2,3)4/h11-16,18-23H,17,24-25H2,1-10H3/q-1.
What are the key properties of [1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]-1-oxo-5,5-diphenylpenta-2,4-dien-2-yl]-methylazanide?
[1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]-1-oxo-5,5-diphenylpenta-2,4-dien-2-yl]-methylazanide has a molecular weight of 615.06 g/mol, XLogP of 8.43, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]-1-oxo-5,5-diphenylpenta-2,4-dien-2-yl]-methylazanide is sourced from PubChem (CID 91185256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).