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

C26H55NO4Si2 — CID 123254106

IUPACN-[3-[4-[2-[butyl(dimethyl)silyl]butan-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)(CC)[Si](C)(C)CCCC
InChIInChI=1S/C26H55NO4Si2/c1-12-16-20-32(8,9)26(6,15-4)31-33(10,11)25(5,14-3)18-17-19-30-22-23(28)21-27(7)24(29)13-2/h13,23,28H,2,12,14-22H2,1,3-11H3
InChIKeyTXUXZPGUHDHLAY-UHFFFAOYSA-N
MW501.90 g/mol
LogP6.40
Rot. Bonds18

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

N-[3-[4-[2-[butyl(dimethyl)silyl]butan-2-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]-N-methylprop-2-enamide (PubChem CID 123254106) has the molecular formula C26H55NO4Si2 and a molecular weight of 501.90 g/mol. Its IUPAC name is N-[3-[4-[2-[butyl(dimethyl)silyl]butan-2-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-[4-[2-[butyl(dimethyl)silyl]butan-2-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]-N-methylprop-2-enamide
PubChem CID123254106
Molecular FormulaC26H55NO4Si2
Molecular Weight501.90 g/mol
Exact Mass501.37
IUPAC NameN-[3-[4-[2-[butyl(dimethyl)silyl]butan-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)(CC)[Si](C)(C)CCCC
InChIInChI=1S/C26H55NO4Si2/c1-12-16-20-32(8,9)26(6,15-4)31-33(10,11)25(5,14-3)18-17-19-30-22-23(28)21-27(7)24(29)13-2/h13,23,28H,2,12,14-22H2,1,3-11H3
InChIKeyTXUXZPGUHDHLAY-UHFFFAOYSA-N
XLogP6.40
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.90
LogP ≤ 56.40
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]butan-2-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]-N-methylprop-2-enamide?
The IUPAC name of N-[3-[4-[2-[butyl(dimethyl)silyl]butan-2-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]-N-methylprop-2-enamide (CID 123254106) is N-[3-[4-[2-[butyl(dimethyl)silyl]butan-2-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[3-[4-[2-[butyl(dimethyl)silyl]butan-2-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[3-[4-[2-[butyl(dimethyl)silyl]butan-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)(CC)[Si](C)(C)CCCC.
What is the InChIKey of N-[3-[4-[2-[butyl(dimethyl)silyl]butan-2-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]-N-methylprop-2-enamide?
The InChIKey is TXUXZPGUHDHLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55NO4Si2/c1-12-16-20-32(8,9)26(6,15-4)31-33(10,11)25(5,14-3)18-17-19-30-22-23(28)21-27(7)24(29)13-2/h13,23,28H,2,12,14-22H2,1,3-11H3.
What are the key properties of N-[3-[4-[2-[butyl(dimethyl)silyl]butan-2-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]-N-methylprop-2-enamide?
N-[3-[4-[2-[butyl(dimethyl)silyl]butan-2-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]-N-methylprop-2-enamide has a molecular weight of 501.90 g/mol, XLogP of 6.40, 18 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]butan-2-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]-N-methylprop-2-enamide is sourced from PubChem (CID 123254106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).