N-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]-N-methylprop-2-enamide

C25H53NO4Si2 — CID 123270345

IUPACN-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(O)COCCCC(C)(CC)[Si](C)(C)OC(C)(C)[Si](C)(C)CCCC
InChIInChI=1S/C25H53NO4Si2/c1-12-15-19-31(8,9)24(4,5)30-32(10,11)25(6,14-3)17-16-18-29-21-22(27)20-26(7)23(28)13-2/h13,22,27H,2,12,14-21H2,1,3-11H3
InChIKeyKLMYEXFYAIYGDR-UHFFFAOYSA-N
MW487.87 g/mol
LogP6.01
Rot. Bonds17

About N-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]-N-methylprop-2-enamide

N-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]-N-methylprop-2-enamide (PubChem CID 123270345) has the molecular formula C25H53NO4Si2 and a molecular weight of 487.87 g/mol. Its IUPAC name is N-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]-N-methylprop-2-enamide
PubChem CID123270345
Molecular FormulaC25H53NO4Si2
Molecular Weight487.87 g/mol
Exact Mass487.35
IUPAC NameN-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(O)COCCCC(C)(CC)[Si](C)(C)OC(C)(C)[Si](C)(C)CCCC
InChIInChI=1S/C25H53NO4Si2/c1-12-15-19-31(8,9)24(4,5)30-32(10,11)25(6,14-3)17-16-18-29-21-22(27)20-26(7)23(28)13-2/h13,22,27H,2,12,14-21H2,1,3-11H3
InChIKeyKLMYEXFYAIYGDR-UHFFFAOYSA-N
XLogP6.01
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.87
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]-N-methylprop-2-enamide?
The IUPAC name of N-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]-N-methylprop-2-enamide (CID 123270345) is N-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]-N-methylprop-2-enamide is C=CC(=O)N(C)CC(O)COCCCC(C)(CC)[Si](C)(C)OC(C)(C)[Si](C)(C)CCCC.
What is the InChIKey of N-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]-N-methylprop-2-enamide?
The InChIKey is KLMYEXFYAIYGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53NO4Si2/c1-12-15-19-31(8,9)24(4,5)30-32(10,11)25(6,14-3)17-16-18-29-21-22(27)20-26(7)23(28)13-2/h13,22,27H,2,12,14-21H2,1,3-11H3.
What are the key properties of N-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]-N-methylprop-2-enamide?
N-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]-N-methylprop-2-enamide has a molecular weight of 487.87 g/mol, XLogP of 6.01, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]-N-methylprop-2-enamide is sourced from PubChem (CID 123270345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).