CID 170743384

C51H108NO7Si2 — CID 170743384

IUPAC—
SMILESCCCCCCCCOC(CCCCCN(CCCCO)CCCCCC(OCCCCCCCC)O[Si](C)(C)OCCCCCCCC)O[Si](C)OCCCCCCCC
InChIInChI=1S/C51H108NO7Si2/c1-8-12-16-20-24-36-46-54-50(58-60(5)56-48-38-26-22-18-14-10-3)40-30-28-32-42-52(44-34-35-45-53)43-33-29-31-41-51(55-47-37-25-21-17-13-9-2)59-61(6,7)57-49-39-27-23-19-15-11-4/h50-51,53H,8-49H2,1-7H3
InChIKeyRGTRASYOLBPKBW-UHFFFAOYSA-N
MW903.60 g/mol
LogP15.20
Rot. Bonds52

About CID 170743384

CID 170743384 (PubChem CID 170743384) has the molecular formula C51H108NO7Si2 and a molecular weight of 903.60 g/mol.

Molecular Properties

Compound NameCID 170743384
PubChem CID170743384
Molecular FormulaC51H108NO7Si2
Molecular Weight903.60 g/mol
Exact Mass902.77
IUPAC Name—
SMILESCCCCCCCCOC(CCCCCN(CCCCO)CCCCCC(OCCCCCCCC)O[Si](C)(C)OCCCCCCCC)O[Si](C)OCCCCCCCC
InChIInChI=1S/C51H108NO7Si2/c1-8-12-16-20-24-36-46-54-50(58-60(5)56-48-38-26-22-18-14-10-3)40-30-28-32-42-52(44-34-35-45-53)43-33-29-31-41-51(55-47-37-25-21-17-13-9-2)59-61(6,7)57-49-39-27-23-19-15-11-4/h50-51,53H,8-49H2,1-7H3
InChIKeyRGTRASYOLBPKBW-UHFFFAOYSA-N
XLogP15.20
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds52
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.60
LogP ≤ 515.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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'}

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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
heptadecan-9-yl 8-[6-[dimethyl(1-octoxyoctoxy)silyl]oxyhexyl-(4-hydroxybutyl)amino]octanoate
CID 170743333
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-[[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
4-[6-[1-[dimethyl(octyl)silyl]oxyoctoxy]hexyl-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenyl]amino]butan-1-ol
CID 170742937
6-[[6-[[dimethyl(octyl)silyl]oxy-dimethylsilyl]oxy-6-octoxyhexyl]-(4-hydroxybutyl)amino]hexyl 2-pentylsulfanyldecanoate
CID 175993053
6-[4-hydroxybutyl-[6-(1-propoxyoctoxy)hexyl]amino]hexyl 2-hexyldecanoate
CID 170743016

Frequently Asked Questions

What is the IUPAC name of CID 170743384?
The IUPAC name of CID 170743384 (CID 170743384) is not available.
What is the SMILES notation for CID 170743384?
The canonical SMILES for CID 170743384 is CCCCCCCCOC(CCCCCN(CCCCO)CCCCCC(OCCCCCCCC)O[Si](C)(C)OCCCCCCCC)O[Si](C)OCCCCCCCC.
What is the InChIKey of CID 170743384?
The InChIKey is RGTRASYOLBPKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H108NO7Si2/c1-8-12-16-20-24-36-46-54-50(58-60(5)56-48-38-26-22-18-14-10-3)40-30-28-32-42-52(44-34-35-45-53)43-33-29-31-41-51(55-47-37-25-21-17-13-9-2)59-61(6,7)57-49-39-27-23-19-15-11-4/h50-51,53H,8-49H2,1-7H3.
What are the key properties of CID 170743384?
CID 170743384 has a molecular weight of 903.60 g/mol, XLogP of 15.20, 52 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170743384 is sourced from PubChem (CID 170743384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).