ethoxyethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;propyl hydrogen sulfate

C15H36O10S — CID 87747917

IUPACethoxyethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;propyl hydrogen sulfate
SMILESCCCOS(=O)(=O)O.CCOCC.OCCOCCOCCOCCO
InChIInChI=1S/C8H18O5.C4H10O.C3H8O4S/c9-1-3-11-5-7-13-8-6-12-4-2-10;1-3-5-4-2;1-2-3-7-8(4,5)6/h9-10H,1-8H2;3-4H2,1-2H3;2-3H2,1H3,(H,4,5,6)
InChIKeyKUIOXVFGKZXMHA-UHFFFAOYSA-N
MW408.51 g/mol
LogP0.28
Rot. Bonds15

About ethoxyethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;propyl hydrogen sulfate

ethoxyethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;propyl hydrogen sulfate (PubChem CID 87747917) has the molecular formula C15H36O10S and a molecular weight of 408.51 g/mol. Its IUPAC name is ethoxyethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;propyl hydrogen sulfate.

Molecular Properties

Compound Nameethoxyethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;propyl hydrogen sulfate
PubChem CID87747917
Molecular FormulaC15H36O10S
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Nameethoxyethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;propyl hydrogen sulfate
SMILESCCCOS(=O)(=O)O.CCOCC.OCCOCCOCCOCCO
InChIInChI=1S/C8H18O5.C4H10O.C3H8O4S/c9-1-3-11-5-7-13-8-6-12-4-2-10;1-3-5-4-2;1-2-3-7-8(4,5)6/h9-10H,1-8H2;3-4H2,1-2H3;2-3H2,1H3,(H,4,5,6)
InChIKeyKUIOXVFGKZXMHA-UHFFFAOYSA-N
XLogP0.28
TPSA140.98 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze ethoxyethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;propyl hydrogen sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethoxyethane;hexyl hydrogen sulfate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 87749418
2-(2-hydroxyethoxy)ethyl hydrogen sulfate
CID 15300697
dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen sulfate
CID 88766044
propyl hydrogen sulfate;hydrate
CID 88639002
dodecyl hydrogen sulfate;ethane-1,2-diol;ethoxyethane
CID 88692322
butyl hydrogen sulfate;ethoxyethane
CID 89261917
ethane-1,2-diol;ethoxyethane;ethyl hydrogen sulfate
CID 87749122
methanamine;propyl hydrogen sulfate
CID 174898654
2-ethoxyethanol;sulfuric acid
CID 87749123
ethane-1,2-diol;ethene;ethoxyethane;hexyl hydrogen sulfate
CID 173151171
ethane-1,2-diol;ethene;ethoxyethane;nonyl hydrogen sulfate
CID 173151121
ethane-1,2-diol;ethene;ethoxyethane;nonyl hydrogen sulfate
CID 173151116

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;propyl hydrogen sulfate?
The IUPAC name of ethoxyethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;propyl hydrogen sulfate (CID 87747917) is ethoxyethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;propyl hydrogen sulfate.
What is the SMILES notation for ethoxyethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;propyl hydrogen sulfate?
The canonical SMILES for ethoxyethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;propyl hydrogen sulfate is CCCOS(=O)(=O)O.CCOCC.OCCOCCOCCOCCO.
What is the InChIKey of ethoxyethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;propyl hydrogen sulfate?
The InChIKey is KUIOXVFGKZXMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O5.C4H10O.C3H8O4S/c9-1-3-11-5-7-13-8-6-12-4-2-10;1-3-5-4-2;1-2-3-7-8(4,5)6/h9-10H,1-8H2;3-4H2,1-2H3;2-3H2,1H3,(H,4,5,6).
What are the key properties of ethoxyethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;propyl hydrogen sulfate?
ethoxyethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;propyl hydrogen sulfate has a molecular weight of 408.51 g/mol, XLogP of 0.28, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;propyl hydrogen sulfate is sourced from PubChem (CID 87747917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).