6-[6-[dimethyl-[1-[(Z)-non-3-enoxy]octoxy]silyl]oxyhexyl-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate

C102H206N2O12Si2 — CID 175993115

IUPAC6-[6-[dimethyl-[1-[(Z)-non-3-enoxy]octoxy]silyl]oxyhexyl-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate
SMILESCCCCC/C=C\CCOC(CCCCCCC)O[Si](C)(C)OCCCCCCN(CCCCO)CCCCCCOC(=O)C(CCCCCC)CCCCCCCC.CCCCC/C=C\CCOC(CCCCCCC)O[Si](C)(C)OCCCCCCN(CCCCO)CCCCCCOC(=O)C(CCCCCC)CCCCCCCC
InChIInChI=1S/2C51H103NO6Si/c2*1-7-11-15-19-21-26-36-46-55-50(41-31-22-17-13-9-3)58-59(5,6)57-48-38-28-25-33-43-52(44-34-35-45-53)42-32-24-27-37-47-56-51(54)49(39-29-18-14-10-4)40-30-23-20-16-12-8-2/h2*21,26,49-50,53H,7-20,22-25,27-48H2,1-6H3/b2*26-21-
InChIKeyARYYZYIEVKVQTQ-WCWDVKEGSA-N
MW1708.94 g/mol
LogP30.05
Rot. Bonds96

About 6-[6-[dimethyl-[1-[(Z)-non-3-enoxy]octoxy]silyl]oxyhexyl-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate

6-[6-[dimethyl-[1-[(Z)-non-3-enoxy]octoxy]silyl]oxyhexyl-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate (PubChem CID 175993115) has the molecular formula C102H206N2O12Si2 and a molecular weight of 1708.94 g/mol. Its IUPAC name is 6-[6-[dimethyl-[1-[(Z)-non-3-enoxy]octoxy]silyl]oxyhexyl-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate.

Molecular Properties

Compound Name6-[6-[dimethyl-[1-[(Z)-non-3-enoxy]octoxy]silyl]oxyhexyl-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate
PubChem CID175993115
Molecular FormulaC102H206N2O12Si2
Molecular Weight1708.94 g/mol
Exact Mass1707.51
IUPAC Name6-[6-[dimethyl-[1-[(Z)-non-3-enoxy]octoxy]silyl]oxyhexyl-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate
SMILESCCCCC/C=C\CCOC(CCCCCCC)O[Si](C)(C)OCCCCCCN(CCCCO)CCCCCCOC(=O)C(CCCCCC)CCCCCCCC.CCCCC/C=C\CCOC(CCCCCCC)O[Si](C)(C)OCCCCCCN(CCCCO)CCCCCCOC(=O)C(CCCCCC)CCCCCCCC
InChIInChI=1S/2C51H103NO6Si/c2*1-7-11-15-19-21-26-36-46-55-50(41-31-22-17-13-9-3)58-59(5,6)57-48-38-28-25-33-43-52(44-34-35-45-53)42-32-24-27-37-47-56-51(54)49(39-29-18-14-10-4)40-30-23-20-16-12-8-2/h2*21,26,49-50,53H,7-20,22-25,27-48H2,1-6H3/b2*26-21-
InChIKeyARYYZYIEVKVQTQ-WCWDVKEGSA-N
XLogP30.05
TPSA154.92 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds96
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001708.94
LogP ≤ 530.05
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-[6-[dimethyl-[1-[(Z)-non-3-enoxy]octoxy]silyl]oxyhexyl-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate with MolForge

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Related Compounds

6-[6-[dimethyl-[1-[(Z)-non-3-enoxy]octoxy]silyl]oxyhexyl-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate
CID 170743344
6-[6-[dimethyl(1-octoxynonoxy)silyl]oxyhexyl-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate
CID 170743343
6-[[6-[dimethyl(octoxy)silyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate
CID 170743007
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
7-[6-[(E)-2-hexyldec-8-enoyl]oxyhexyl-(6-hydroxyhexyl)amino]heptyl 2-hexyldecanoate
CID 174355599
6-[6-[1-[dimethyl(octyl)silyl]oxyoctoxy]hexyl-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate
CID 175993059
4-[[6-[[dimethyl(octoxy)silyl]oxy-dimethylsilyl]oxy-6-octoxyhexyl]-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenyl]amino]butan-1-ol
CID 170743263
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

Frequently Asked Questions

What is the IUPAC name of 6-[6-[dimethyl-[1-[(Z)-non-3-enoxy]octoxy]silyl]oxyhexyl-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate?
The IUPAC name of 6-[6-[dimethyl-[1-[(Z)-non-3-enoxy]octoxy]silyl]oxyhexyl-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate (CID 175993115) is 6-[6-[dimethyl-[1-[(Z)-non-3-enoxy]octoxy]silyl]oxyhexyl-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate.
What is the SMILES notation for 6-[6-[dimethyl-[1-[(Z)-non-3-enoxy]octoxy]silyl]oxyhexyl-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate?
The canonical SMILES for 6-[6-[dimethyl-[1-[(Z)-non-3-enoxy]octoxy]silyl]oxyhexyl-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate is CCCCC/C=C\CCOC(CCCCCCC)O[Si](C)(C)OCCCCCCN(CCCCO)CCCCCCOC(=O)C(CCCCCC)CCCCCCCC.CCCCC/C=C\CCOC(CCCCCCC)O[Si](C)(C)OCCCCCCN(CCCCO)CCCCCCOC(=O)C(CCCCCC)CCCCCCCC.
What is the InChIKey of 6-[6-[dimethyl-[1-[(Z)-non-3-enoxy]octoxy]silyl]oxyhexyl-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate?
The InChIKey is ARYYZYIEVKVQTQ-WCWDVKEGSA-N. The full InChI is InChI=1S/2C51H103NO6Si/c2*1-7-11-15-19-21-26-36-46-55-50(41-31-22-17-13-9-3)58-59(5,6)57-48-38-28-25-33-43-52(44-34-35-45-53)42-32-24-27-37-47-56-51(54)49(39-29-18-14-10-4)40-30-23-20-16-12-8-2/h2*21,26,49-50,53H,7-20,22-25,27-48H2,1-6H3/b2*26-21-.
What are the key properties of 6-[6-[dimethyl-[1-[(Z)-non-3-enoxy]octoxy]silyl]oxyhexyl-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate?
6-[6-[dimethyl-[1-[(Z)-non-3-enoxy]octoxy]silyl]oxyhexyl-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate has a molecular weight of 1708.94 g/mol, XLogP of 30.05, 96 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[dimethyl-[1-[(Z)-non-3-enoxy]octoxy]silyl]oxyhexyl-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate is sourced from PubChem (CID 175993115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).