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

C50H103NO6Si — CID 170743007

IUPAC6-[[6-[dimethyl(octoxy)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate
SMILESCCCCCCCCOC(CCCCCN(CCCCO)CCCCCCOC(=O)C(CCCCCC)CCCCCCCC)O[Si](C)(C)OCCCCCCCC
InChIInChI=1S/C50H103NO6Si/c1-7-11-15-19-22-29-39-48(38-28-18-14-10-4)50(53)55-46-36-26-23-31-41-51(43-33-34-44-52)42-32-27-30-40-49(54-45-35-24-20-16-12-8-2)57-58(5,6)56-47-37-25-21-17-13-9-3/h48-49,52H,7-47H2,1-6H3
InChIKeyPLZWSYMMGGACBZ-UHFFFAOYSA-N
MW842.46 g/mol
LogP14.86
Rot. Bonds48

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

6-[[6-[dimethyl(octoxy)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate (PubChem CID 170743007) has the molecular formula C50H103NO6Si and a molecular weight of 842.46 g/mol. Its IUPAC name is 6-[[6-[dimethyl(octoxy)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate.

Molecular Properties

Compound Name6-[[6-[dimethyl(octoxy)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate
PubChem CID170743007
Molecular FormulaC50H103NO6Si
Molecular Weight842.46 g/mol
Exact Mass841.76
IUPAC Name6-[[6-[dimethyl(octoxy)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate
SMILESCCCCCCCCOC(CCCCCN(CCCCO)CCCCCCOC(=O)C(CCCCCC)CCCCCCCC)O[Si](C)(C)OCCCCCCCC
InChIInChI=1S/C50H103NO6Si/c1-7-11-15-19-22-29-39-48(38-28-18-14-10-4)50(53)55-46-36-26-23-31-41-51(43-33-34-44-52)42-32-27-30-40-49(54-45-35-24-20-16-12-8-2)57-58(5,6)56-47-37-25-21-17-13-9-3/h48-49,52H,7-47H2,1-6H3
InChIKeyPLZWSYMMGGACBZ-UHFFFAOYSA-N
XLogP14.86
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds48
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.46
LogP ≤ 514.86
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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

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Related Compounds

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-[2-hexyldecoxy(dimethyl)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate
CID 175993094
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-[6-[1-[dimethyl(octyl)silyl]oxyoctoxy]hexyl-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate
CID 175993059
6-[4-hydroxybutyl-[6-(1-propoxyoctoxy)hexyl]amino]hexyl 2-hexyldecanoate
CID 170743016
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-(2-hexyloctanoyloxy)hexyl-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate
CID 153283994
6-[6-[(2S)-2-hexyldecanoyl]oxyhexyl-(6-hydroxyhexyl)amino]hexyl 2-hexyldecanoate
CID 137396856
4-[4-hydroxybutyl(3-hydroxypropyl)amino]butyl 2-hexylnonanoate
CID 170023110

Frequently Asked Questions

What is the IUPAC name of 6-[[6-[dimethyl(octoxy)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate?
The IUPAC name of 6-[[6-[dimethyl(octoxy)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate (CID 170743007) is 6-[[6-[dimethyl(octoxy)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate.
What is the SMILES notation for 6-[[6-[dimethyl(octoxy)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate?
The canonical SMILES for 6-[[6-[dimethyl(octoxy)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate is CCCCCCCCOC(CCCCCN(CCCCO)CCCCCCOC(=O)C(CCCCCC)CCCCCCCC)O[Si](C)(C)OCCCCCCCC.
What is the InChIKey of 6-[[6-[dimethyl(octoxy)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate?
The InChIKey is PLZWSYMMGGACBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H103NO6Si/c1-7-11-15-19-22-29-39-48(38-28-18-14-10-4)50(53)55-46-36-26-23-31-41-51(43-33-34-44-52)42-32-27-30-40-49(54-45-35-24-20-16-12-8-2)57-58(5,6)56-47-37-25-21-17-13-9-3/h48-49,52H,7-47H2,1-6H3.
What are the key properties of 6-[[6-[dimethyl(octoxy)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate?
6-[[6-[dimethyl(octoxy)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate has a molecular weight of 842.46 g/mol, XLogP of 14.86, 48 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-[dimethyl(octoxy)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate is sourced from PubChem (CID 170743007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).