6-[[6-[2-hexyldecoxy(dimethyl)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate

C116H238N2O12Si2 — CID 175993094

IUPAC6-[[6-[2-hexyldecoxy(dimethyl)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate
SMILESCCCCCCCCOC(CCCCCN(CCCCO)CCCCCCOC(=O)C(CCCCCC)CCCCCCCC)O[Si](C)(C)OCC(CCCCCC)CCCCCCCC.CCCCCCCCOC(CCCCCN(CCCCO)CCCCCCOC(=O)C(CCCCCC)CCCCCCCC)O[Si](C)(C)OCC(CCCCCC)CCCCCCCC
InChIInChI=1S/2C58H119NO6Si/c2*1-8-13-18-23-26-33-44-55(43-32-21-16-11-4)54-64-66(6,7)65-57(62-52-41-29-25-20-15-10-3)47-36-31-38-49-59(50-39-40-51-60)48-37-28-30-42-53-63-58(61)56(45-34-22-17-12-5)46-35-27-24-19-14-9-2/h2*55-57,60H,8-54H2,1-7H3
InChIKeyKSAVGBMGBHSPOB-UHFFFAOYSA-N
MW1909.35 g/mol
LogP35.67
Rot. Bonds110

About 6-[[6-[2-hexyldecoxy(dimethyl)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate

6-[[6-[2-hexyldecoxy(dimethyl)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate (PubChem CID 175993094) has the molecular formula C116H238N2O12Si2 and a molecular weight of 1909.35 g/mol. Its IUPAC name is 6-[[6-[2-hexyldecoxy(dimethyl)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate.

Molecular Properties

Compound Name6-[[6-[2-hexyldecoxy(dimethyl)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate
PubChem CID175993094
Molecular FormulaC116H238N2O12Si2
Molecular Weight1909.35 g/mol
Exact Mass1907.76
IUPAC Name6-[[6-[2-hexyldecoxy(dimethyl)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate
SMILESCCCCCCCCOC(CCCCCN(CCCCO)CCCCCCOC(=O)C(CCCCCC)CCCCCCCC)O[Si](C)(C)OCC(CCCCCC)CCCCCCCC.CCCCCCCCOC(CCCCCN(CCCCO)CCCCCCOC(=O)C(CCCCCC)CCCCCCCC)O[Si](C)(C)OCC(CCCCCC)CCCCCCCC
InChIInChI=1S/2C58H119NO6Si/c2*1-8-13-18-23-26-33-44-55(43-32-21-16-11-4)54-64-66(6,7)65-57(62-52-41-29-25-20-15-10-3)47-36-31-38-49-59(50-39-40-51-60)48-37-28-30-42-53-63-58(61)56(45-34-22-17-12-5)46-35-27-24-19-14-9-2/h2*55-57,60H,8-54H2,1-7H3
InChIKeyKSAVGBMGBHSPOB-UHFFFAOYSA-N
XLogP35.67
TPSA154.92 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds110
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001909.35
LogP ≤ 535.67
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 6-[[6-[2-hexyldecoxy(dimethyl)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate with MolForge

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Related Compounds

6-[[6-[dimethyl(octoxy)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate
CID 170743007
6-[6-[dimethyl(1-octoxynonoxy)silyl]oxyhexyl-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate
CID 170743343
6-[6-[dimethyl(1-octoxyheptoxy)silyl]oxyhexyl-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate
CID 175993039
6-[6-[1-[dimethyl(octyl)silyl]oxyoctoxy]hexyl-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate
CID 175993059
6-[6-[dimethyl-[1-[(Z)-non-3-enoxy]octoxy]silyl]oxyhexyl-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate
CID 175993115
6-[6-[dimethyl-[1-[(Z)-non-3-enoxy]octoxy]silyl]oxyhexyl-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate
CID 170743344
6-[4-hydroxybutyl-[6-(1-propoxyoctoxy)hexyl]amino]hexyl 2-hexyldecanoate
CID 170743016
4-[4-(2-hexyldecoxy)butyl-(4-hydroxybutyl)amino]butyl 2-hexyldecanoate
CID 166805439
12-[12-(2-hexyldecoxy)dodecyl-(4-hydroxybutyl)amino]dodecyl 2-hexyldecanoate
CID 170760608
7-[6-(2-decyltetradecanoyloxy)hexyl-(4-hydroxybutyl)amino]heptyl 2-decyltetradecanoate
CID 170734685
6-[4-hydroxybutyl-[6-(2-octyldodecanoyloxy)hexyl]amino]hexyl 2-nonyltridecanoate
CID 171760702
6-[6-[(2S)-2-hexyldecanoyl]oxyhexyl-(6-hydroxyhexyl)amino]hexyl 2-hexyldecanoate
CID 137396856

Frequently Asked Questions

What is the IUPAC name of 6-[[6-[2-hexyldecoxy(dimethyl)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate?
The IUPAC name of 6-[[6-[2-hexyldecoxy(dimethyl)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate (CID 175993094) is 6-[[6-[2-hexyldecoxy(dimethyl)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate.
What is the SMILES notation for 6-[[6-[2-hexyldecoxy(dimethyl)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate?
The canonical SMILES for 6-[[6-[2-hexyldecoxy(dimethyl)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate is CCCCCCCCOC(CCCCCN(CCCCO)CCCCCCOC(=O)C(CCCCCC)CCCCCCCC)O[Si](C)(C)OCC(CCCCCC)CCCCCCCC.CCCCCCCCOC(CCCCCN(CCCCO)CCCCCCOC(=O)C(CCCCCC)CCCCCCCC)O[Si](C)(C)OCC(CCCCCC)CCCCCCCC.
What is the InChIKey of 6-[[6-[2-hexyldecoxy(dimethyl)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate?
The InChIKey is KSAVGBMGBHSPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C58H119NO6Si/c2*1-8-13-18-23-26-33-44-55(43-32-21-16-11-4)54-64-66(6,7)65-57(62-52-41-29-25-20-15-10-3)47-36-31-38-49-59(50-39-40-51-60)48-37-28-30-42-53-63-58(61)56(45-34-22-17-12-5)46-35-27-24-19-14-9-2/h2*55-57,60H,8-54H2,1-7H3.
What are the key properties of 6-[[6-[2-hexyldecoxy(dimethyl)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate?
6-[[6-[2-hexyldecoxy(dimethyl)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate has a molecular weight of 1909.35 g/mol, XLogP of 35.67, 110 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-[2-hexyldecoxy(dimethyl)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate is sourced from PubChem (CID 175993094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).