bis(2-dodecoxyethyl)-bis(2-hydroxyethyl)azanium

C32H68NO4+ — CID 101163799

IUPACbis(2-dodecoxyethyl)-bis(2-hydroxyethyl)azanium
SMILESCCCCCCCCCCCCOCC[N+](CCO)(CCO)CCOCCCCCCCCCCCC
InChIInChI=1S/C32H68NO4/c1-3-5-7-9-11-13-15-17-19-21-29-36-31-25-33(23-27-34,24-28-35)26-32-37-30-22-20-18-16-14-12-10-8-6-4-2/h34-35H,3-32H2,1-2H3/q+1
InChIKeyVTTAFOWNEFQHDO-UHFFFAOYSA-N
MW530.90 g/mol
LogP7.66
Rot. Bonds32

About bis(2-dodecoxyethyl)-bis(2-hydroxyethyl)azanium

bis(2-dodecoxyethyl)-bis(2-hydroxyethyl)azanium (PubChem CID 101163799) has the molecular formula C32H68NO4+ and a molecular weight of 530.90 g/mol. Its IUPAC name is bis(2-dodecoxyethyl)-bis(2-hydroxyethyl)azanium.

Molecular Properties

Compound Namebis(2-dodecoxyethyl)-bis(2-hydroxyethyl)azanium
PubChem CID101163799
Molecular FormulaC32H68NO4+
Molecular Weight530.90 g/mol
Exact Mass530.51
IUPAC Namebis(2-dodecoxyethyl)-bis(2-hydroxyethyl)azanium
SMILESCCCCCCCCCCCCOCC[N+](CCO)(CCO)CCOCCCCCCCCCCCC
InChIInChI=1S/C32H68NO4/c1-3-5-7-9-11-13-15-17-19-21-29-36-31-25-33(23-27-34,24-28-35)26-32-37-30-22-20-18-16-14-12-10-8-6-4-2/h34-35H,3-32H2,1-2H3/q+1
InChIKeyVTTAFOWNEFQHDO-UHFFFAOYSA-N
XLogP7.66
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds32
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.90
LogP ≤ 57.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

bis(2-hydroxyethyl)-bis(2-tetradecoxyethyl)azanium
CID 101163800
dodecoxymethyl-tris(2-hydroxyethyl)azanium
CID 3018618
2-dodecoxyethyl-bis(2-hydroxyethyl)-methylazanium
CID 139716436
ethane-1,2-diol;1-pentoxyheptane
CID 175114778
2-(2-octadecoxyethoxy)ethyl-tripropylazanium chloride
CID 88506808
2-dodecoxyethanol
CID 24750
5-octoxypentan-1-ol
CID 22407981
9-nonoxynonan-1-ol
CID 57318642
2-tetradecoxyethanol
CID 16491
2-heptoxyethanol
CID 23889
carboxymethyl-bis(hydroxymethyl)-(2-octoxyethyl)azanium
CID 101283267
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-heptadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 15607546

Frequently Asked Questions

What is the IUPAC name of bis(2-dodecoxyethyl)-bis(2-hydroxyethyl)azanium?
The IUPAC name of bis(2-dodecoxyethyl)-bis(2-hydroxyethyl)azanium (CID 101163799) is bis(2-dodecoxyethyl)-bis(2-hydroxyethyl)azanium.
What is the SMILES notation for bis(2-dodecoxyethyl)-bis(2-hydroxyethyl)azanium?
The canonical SMILES for bis(2-dodecoxyethyl)-bis(2-hydroxyethyl)azanium is CCCCCCCCCCCCOCC[N+](CCO)(CCO)CCOCCCCCCCCCCCC.
What is the InChIKey of bis(2-dodecoxyethyl)-bis(2-hydroxyethyl)azanium?
The InChIKey is VTTAFOWNEFQHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H68NO4/c1-3-5-7-9-11-13-15-17-19-21-29-36-31-25-33(23-27-34,24-28-35)26-32-37-30-22-20-18-16-14-12-10-8-6-4-2/h34-35H,3-32H2,1-2H3/q+1.
What are the key properties of bis(2-dodecoxyethyl)-bis(2-hydroxyethyl)azanium?
bis(2-dodecoxyethyl)-bis(2-hydroxyethyl)azanium has a molecular weight of 530.90 g/mol, XLogP of 7.66, 32 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-dodecoxyethyl)-bis(2-hydroxyethyl)azanium is sourced from PubChem (CID 101163799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).