2-(2-hydroxyethoxyamino)oxyethanol;tetradecyl hydrogen sulfate

C18H41NO8S — CID 87776061

IUPAC2-(2-hydroxyethoxyamino)oxyethanol;tetradecyl hydrogen sulfate
SMILESCCCCCCCCCCCCCCOS(=O)(=O)O.OCCONOCCO
InChIInChI=1S/C14H30O4S.C4H11NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;6-1-3-8-5-9-4-2-7/h2-14H2,1H3,(H,15,16,17);5-7H,1-4H2
InChIKeyLDRZWQVJWOQQCT-UHFFFAOYSA-N
MW431.59 g/mol
LogP2.93
Rot. Bonds20

About 2-(2-hydroxyethoxyamino)oxyethanol;tetradecyl hydrogen sulfate

2-(2-hydroxyethoxyamino)oxyethanol;tetradecyl hydrogen sulfate (PubChem CID 87776061) has the molecular formula C18H41NO8S and a molecular weight of 431.59 g/mol. Its IUPAC name is 2-(2-hydroxyethoxyamino)oxyethanol;tetradecyl hydrogen sulfate.

Molecular Properties

Compound Name2-(2-hydroxyethoxyamino)oxyethanol;tetradecyl hydrogen sulfate
PubChem CID87776061
Molecular FormulaC18H41NO8S
Molecular Weight431.59 g/mol
Exact Mass431.26
IUPAC Name2-(2-hydroxyethoxyamino)oxyethanol;tetradecyl hydrogen sulfate
SMILESCCCCCCCCCCCCCCOS(=O)(=O)O.OCCONOCCO
InChIInChI=1S/C14H30O4S.C4H11NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;6-1-3-8-5-9-4-2-7/h2-14H2,1H3,(H,15,16,17);5-7H,1-4H2
InChIKeyLDRZWQVJWOQQCT-UHFFFAOYSA-N
XLogP2.93
TPSA134.55 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.59
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

dodecan-1-ol;2-(2-hydroxyethoxyamino)oxyethanol;sulfuric acid
CID 174294727
decyl hydrogen sulfate;dodecyl hydrogen sulfate
CID 87746197
magnesium icosyl hydrogen sulfate
CID 21125099
alumane;octadecyl hydrogen sulfate
CID 175420064
Sodiumn-tridecylsulphate
CID 131877406
CID 87182380
CID 87182380
tridecyl hydrogen sulfate;hydrate
CID 88668618
CID 170845374
CID 170845374
azanium decyl hydrogen sulfate
CID 21115891
dodecan-1-amine;2-(2-hydroxyethoxyamino)oxyethanol;sulfuric acid
CID 175057935
sodium;dodecyl hydrogen sulfate;hydride
CID 173193135
butyl hydrogen sulfate;heptane
CID 175360663

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxyamino)oxyethanol;tetradecyl hydrogen sulfate?
The IUPAC name of 2-(2-hydroxyethoxyamino)oxyethanol;tetradecyl hydrogen sulfate (CID 87776061) is 2-(2-hydroxyethoxyamino)oxyethanol;tetradecyl hydrogen sulfate.
What is the SMILES notation for 2-(2-hydroxyethoxyamino)oxyethanol;tetradecyl hydrogen sulfate?
The canonical SMILES for 2-(2-hydroxyethoxyamino)oxyethanol;tetradecyl hydrogen sulfate is CCCCCCCCCCCCCCOS(=O)(=O)O.OCCONOCCO.
What is the InChIKey of 2-(2-hydroxyethoxyamino)oxyethanol;tetradecyl hydrogen sulfate?
The InChIKey is LDRZWQVJWOQQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4S.C4H11NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;6-1-3-8-5-9-4-2-7/h2-14H2,1H3,(H,15,16,17);5-7H,1-4H2.
What are the key properties of 2-(2-hydroxyethoxyamino)oxyethanol;tetradecyl hydrogen sulfate?
2-(2-hydroxyethoxyamino)oxyethanol;tetradecyl hydrogen sulfate has a molecular weight of 431.59 g/mol, XLogP of 2.93, 20 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxyamino)oxyethanol;tetradecyl hydrogen sulfate is sourced from PubChem (CID 87776061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).