bis(2-aminoethanol);tetradecyl sulfate

C18H43N2O6S- — CID 21124184

IUPACbis(2-aminoethanol);tetradecyl sulfate
SMILESCCCCCCCCCCCCCCOS(=O)(=O)[O-].NCCO.NCCO
InChIInChI=1S/C14H30O4S.2C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;2*3-1-2-4/h2-14H2,1H3,(H,15,16,17);2*4H,1-3H2/p-1
InChIKeyWUWWCWRPXNNBQE-UHFFFAOYSA-M
MW415.62 g/mol
LogP2.04
Rot. Bonds16

About bis(2-aminoethanol);tetradecyl sulfate

bis(2-aminoethanol);tetradecyl sulfate (PubChem CID 21124184) has the molecular formula C18H43N2O6S- and a molecular weight of 415.62 g/mol. Its IUPAC name is bis(2-aminoethanol);tetradecyl sulfate.

Molecular Properties

Compound Namebis(2-aminoethanol);tetradecyl sulfate
PubChem CID21124184
Molecular FormulaC18H43N2O6S-
Molecular Weight415.62 g/mol
Exact Mass415.28
IUPAC Namebis(2-aminoethanol);tetradecyl sulfate
SMILESCCCCCCCCCCCCCCOS(=O)(=O)[O-].NCCO.NCCO
InChIInChI=1S/C14H30O4S.2C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;2*3-1-2-4/h2-14H2,1H3,(H,15,16,17);2*4H,1-3H2/p-1
InChIKeyWUWWCWRPXNNBQE-UHFFFAOYSA-M
XLogP2.04
TPSA158.93 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.62
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

azanium;ethanol;tetradecyl sulfate
CID 158184471
azanium;ethanol;octadecyl sulfate
CID 157483069
2-hydroxyethylazanium;octadecyl sulfate
CID 6365168
magnesium bis(tricosyl sulfate)
CID 101286759
calcium nonyl sulfate
CID 101286747
cobalt(2+);dodecyl sulfate
CID 87268751
dodecyl sulfate;gadolinium(3+)
CID 102378284
sodium tetradecyl sulfate
CID 23665770
sodium heptacosyl sulfate
CID 155090064
sodium hexyl sulfate
CID 23678858
copper(1+);dodecyl sulfate
CID 174360133
disodium bis(hexadecyl sulfate)
CID 10394875

Frequently Asked Questions

What is the IUPAC name of bis(2-aminoethanol);tetradecyl sulfate?
The IUPAC name of bis(2-aminoethanol);tetradecyl sulfate (CID 21124184) is bis(2-aminoethanol);tetradecyl sulfate.
What is the SMILES notation for bis(2-aminoethanol);tetradecyl sulfate?
The canonical SMILES for bis(2-aminoethanol);tetradecyl sulfate is CCCCCCCCCCCCCCOS(=O)(=O)[O-].NCCO.NCCO.
What is the InChIKey of bis(2-aminoethanol);tetradecyl sulfate?
The InChIKey is WUWWCWRPXNNBQE-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H30O4S.2C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;2*3-1-2-4/h2-14H2,1H3,(H,15,16,17);2*4H,1-3H2/p-1.
What are the key properties of bis(2-aminoethanol);tetradecyl sulfate?
bis(2-aminoethanol);tetradecyl sulfate has a molecular weight of 415.62 g/mol, XLogP of 2.04, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminoethanol);tetradecyl sulfate is sourced from PubChem (CID 21124184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).