ethyl 3-(dimethylamino)-8-oxo-8-[3-tris(trimethylsilyloxy)silylpropylamino]octanoate

C24H56N2O6Si4 — CID 174057343

IUPACethyl 3-(dimethylamino)-8-oxo-8-[3-tris(trimethylsilyloxy)silylpropylamino]octanoate
SMILESCCOC(=O)CC(CCCCC(=O)NCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)N(C)C
InChIInChI=1S/C24H56N2O6Si4/c1-13-29-24(28)21-22(26(2)3)17-14-15-18-23(27)25-19-16-20-36(30-33(4,5)6,31-34(7,8)9)32-35(10,11)12/h22H,13-21H2,1-12H3,(H,25,27)
InChIKeyBCPCGDLYWWKSBU-UHFFFAOYSA-N
MW581.06 g/mol
LogP5.43
Rot. Bonds19

About ethyl 3-(dimethylamino)-8-oxo-8-[3-tris(trimethylsilyloxy)silylpropylamino]octanoate

ethyl 3-(dimethylamino)-8-oxo-8-[3-tris(trimethylsilyloxy)silylpropylamino]octanoate (PubChem CID 174057343) has the molecular formula C24H56N2O6Si4 and a molecular weight of 581.06 g/mol. Its IUPAC name is ethyl 3-(dimethylamino)-8-oxo-8-[3-tris(trimethylsilyloxy)silylpropylamino]octanoate.

Molecular Properties

Compound Nameethyl 3-(dimethylamino)-8-oxo-8-[3-tris(trimethylsilyloxy)silylpropylamino]octanoate
PubChem CID174057343
Molecular FormulaC24H56N2O6Si4
Molecular Weight581.06 g/mol
Exact Mass580.32
IUPAC Nameethyl 3-(dimethylamino)-8-oxo-8-[3-tris(trimethylsilyloxy)silylpropylamino]octanoate
SMILESCCOC(=O)CC(CCCCC(=O)NCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)N(C)C
InChIInChI=1S/C24H56N2O6Si4/c1-13-29-24(28)21-22(26(2)3)17-14-15-18-23(27)25-19-16-20-36(30-33(4,5)6,31-34(7,8)9)32-35(10,11)12/h22H,13-21H2,1-12H3,(H,25,27)
InChIKeyBCPCGDLYWWKSBU-UHFFFAOYSA-N
XLogP5.43
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.06
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 3-(dimethylamino)-8-oxo-8-[3-tris(trimethylsilyloxy)silylpropylamino]octanoate with MolForge

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Related Compounds

dimethyl-[6-oxo-6-[3-tris(trimethylsilyloxy)silylpropylamino]hexyl]azanium
CID 167366189
ethyl 6-[6-(ethoxycarbonylamino)hexanoylamino]hexanoate
CID 91705286
6-hydroxy-N-(3-triethoxysilylpropyl)undecanamide
CID 90014930
N-(3-triethoxysilylpropyl)hexanamide
CID 71321496
ethyl 5-(butanoylamino)pentanoate
CID 131842627
ethyl 4-(pentanoylamino)butanoate
CID 60654722
5-hydroxy-N-(3-triethoxysilylpropyl)decanamide
CID 90014913
N-(3-trimethoxysilylpropyl)tricosanamide
CID 175992989
N-(3-trimethoxysilylpropyl)octanamide
CID 71362207
5-[(4-ethoxy-4-oxobutyl)amino]-5-oxopentanoic acid
CID 64576360
ethyl 4-[4-(methylamino)butanoylamino]butanoate;hydrochloride
CID 119726258
N-(3-triethoxysilylpropyl)butanamide
CID 20829613

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(dimethylamino)-8-oxo-8-[3-tris(trimethylsilyloxy)silylpropylamino]octanoate?
The IUPAC name of ethyl 3-(dimethylamino)-8-oxo-8-[3-tris(trimethylsilyloxy)silylpropylamino]octanoate (CID 174057343) is ethyl 3-(dimethylamino)-8-oxo-8-[3-tris(trimethylsilyloxy)silylpropylamino]octanoate.
What is the SMILES notation for ethyl 3-(dimethylamino)-8-oxo-8-[3-tris(trimethylsilyloxy)silylpropylamino]octanoate?
The canonical SMILES for ethyl 3-(dimethylamino)-8-oxo-8-[3-tris(trimethylsilyloxy)silylpropylamino]octanoate is CCOC(=O)CC(CCCCC(=O)NCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)N(C)C.
What is the InChIKey of ethyl 3-(dimethylamino)-8-oxo-8-[3-tris(trimethylsilyloxy)silylpropylamino]octanoate?
The InChIKey is BCPCGDLYWWKSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H56N2O6Si4/c1-13-29-24(28)21-22(26(2)3)17-14-15-18-23(27)25-19-16-20-36(30-33(4,5)6,31-34(7,8)9)32-35(10,11)12/h22H,13-21H2,1-12H3,(H,25,27).
What are the key properties of ethyl 3-(dimethylamino)-8-oxo-8-[3-tris(trimethylsilyloxy)silylpropylamino]octanoate?
ethyl 3-(dimethylamino)-8-oxo-8-[3-tris(trimethylsilyloxy)silylpropylamino]octanoate has a molecular weight of 581.06 g/mol, XLogP of 5.43, 19 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(dimethylamino)-8-oxo-8-[3-tris(trimethylsilyloxy)silylpropylamino]octanoate is sourced from PubChem (CID 174057343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).