2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate;2-methoxyethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate

C56H122N8O10Si3 — CID 158701139

IUPAC2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate;2-methoxyethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate
SMILESCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)CCCCCCCNC(=O)N(CCCN(C)C)CCCN(C)C.COCCOC(=O)CCCCCCCNC(=O)N(CCCN(C)C)CCCN(C)C
InChIInChI=1S/C34H76N4O6Si3.C22H46N4O4/c1-12-13-31-45(6,7)43-47(10,11)44-46(8,9)32-21-28-41-29-30-42-33(39)22-17-15-14-16-18-23-35-34(40)38(26-19-24-36(2)3)27-20-25-37(4)5;1-24(2)15-11-17-26(18-12-16-25(3)4)22(28)23-14-10-8-6-7-9-13-21(27)30-20-19-29-5/h12-32H2,1-11H3,(H,35,40);6-20H2,1-5H3,(H,23,28)
InChIKeyIHOFDKCMZFAEJB-UHFFFAOYSA-N
MW1151.90 g/mol
LogP9.57
Rot. Bonds49

About 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate;2-methoxyethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate

2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate;2-methoxyethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate (PubChem CID 158701139) has the molecular formula C56H122N8O10Si3 and a molecular weight of 1151.90 g/mol. Its IUPAC name is 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate;2-methoxyethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate.

Molecular Properties

Compound Name2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate;2-methoxyethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate
PubChem CID158701139
Molecular FormulaC56H122N8O10Si3
Molecular Weight1151.90 g/mol
Exact Mass1150.86
IUPAC Name2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate;2-methoxyethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate
SMILESCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)CCCCCCCNC(=O)N(CCCN(C)C)CCCN(C)C.COCCOC(=O)CCCCCCCNC(=O)N(CCCN(C)C)CCCN(C)C
InChIInChI=1S/C34H76N4O6Si3.C22H46N4O4/c1-12-13-31-45(6,7)43-47(10,11)44-46(8,9)32-21-28-41-29-30-42-33(39)22-17-15-14-16-18-23-35-34(40)38(26-19-24-36(2)3)27-20-25-37(4)5;1-24(2)15-11-17-26(18-12-16-25(3)4)22(28)23-14-10-8-6-7-9-13-21(27)30-20-19-29-5/h12-32H2,1-11H3,(H,35,40);6-20H2,1-5H3,(H,23,28)
InChIKeyIHOFDKCMZFAEJB-UHFFFAOYSA-N
XLogP9.57
TPSA167.16 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds49
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001151.90
LogP ≤ 59.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate;2-methoxyethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate with MolForge

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Related Compounds

nonyl 8-[4-(dimethylamino)butylcarbamoyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate
CID 146475436
2-(3-trimethylsilylpropoxy)ethyl 6-methoxyhexanoate
CID 177065450
[4-[2-[3-(dimethylamino)propylcarbamoyl-[2-[4-tridecanoyloxy-3-(tridecanoyloxymethyl)butanoyl]oxyethyl]amino]ethoxy]-4-oxo-2-(tridecanoyloxymethyl)butyl] tridecanoate
CID 169291299
[4-[2-[2-[4-decanoyloxy-3-(decanoyloxymethyl)butanoyl]oxyethyl-[3-(dimethylamino)propylcarbamoyl]amino]ethoxy]-2-(decanoyloxymethyl)-4-oxobutyl] decanoate
CID 169291244
2-(2-methoxyethoxy)ethyl dodecanoate
CID 10990309
2-[3-[[[[[[[[[[[[3-[2-(4-chloro-4-oxobutanoyl)oxyethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 4-chloro-4-oxobutanoate
CID 155790031
2-methoxyethyl 6-[4-[3-(dimethylamino)propylamino]-4-oxobutanoyl]oxyhexanoate
CID 88547830
2-propoxyethyl 8-[1-[bis[3-(dimethylamino)propyl]amino]propan-2-yloxycarbonylamino]octanoate
CID 160861355
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(didecylamino)-4-oxobutanoate
CID 176758965
2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-[di(tetradecyl)amino]-4-oxobutanoate
CID 176758962
2-methoxyethyl 3-[3-(dimethylamino)propyl-[3-[2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-[2-(2-methoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopropyl]amino]propanoate
CID 176880518
2-[3-[[[[[[[[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate
CID 59620846

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate;2-methoxyethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate?
The IUPAC name of 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate;2-methoxyethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate (CID 158701139) is 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate;2-methoxyethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate.
What is the SMILES notation for 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate;2-methoxyethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate?
The canonical SMILES for 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate;2-methoxyethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate is CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)CCCCCCCNC(=O)N(CCCN(C)C)CCCN(C)C.COCCOC(=O)CCCCCCCNC(=O)N(CCCN(C)C)CCCN(C)C.
What is the InChIKey of 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate;2-methoxyethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate?
The InChIKey is IHOFDKCMZFAEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H76N4O6Si3.C22H46N4O4/c1-12-13-31-45(6,7)43-47(10,11)44-46(8,9)32-21-28-41-29-30-42-33(39)22-17-15-14-16-18-23-35-34(40)38(26-19-24-36(2)3)27-20-25-37(4)5;1-24(2)15-11-17-26(18-12-16-25(3)4)22(28)23-14-10-8-6-7-9-13-21(27)30-20-19-29-5/h12-32H2,1-11H3,(H,35,40);6-20H2,1-5H3,(H,23,28).
What are the key properties of 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate;2-methoxyethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate?
2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate;2-methoxyethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate has a molecular weight of 1151.90 g/mol, XLogP of 9.57, 49 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate;2-methoxyethyl 8-[bis[3-(dimethylamino)propyl]carbamoylamino]octanoate is sourced from PubChem (CID 158701139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).