2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethanol;sulfuric acid

C14H32O8S — CID 87749603

IUPAC2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethanol;sulfuric acid
SMILESCCCCC(CC)COCCOCCOCCO.O=S(=O)(O)O
InChIInChI=1S/C14H30O4.H2O4S/c1-3-5-6-14(4-2)13-18-12-11-17-10-9-16-8-7-15;1-5(2,3)4/h14-15H,3-13H2,1-2H3;(H2,1,2,3,4)
InChIKeyWLALBXANKAOINA-UHFFFAOYSA-N
MW360.47 g/mol
LogP1.59
Rot. Bonds14

About 2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethanol;sulfuric acid

2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethanol;sulfuric acid (PubChem CID 87749603) has the molecular formula C14H32O8S and a molecular weight of 360.47 g/mol. Its IUPAC name is 2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethanol;sulfuric acid.

Molecular Properties

Compound Name2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethanol;sulfuric acid
PubChem CID87749603
Molecular FormulaC14H32O8S
Molecular Weight360.47 g/mol
Exact Mass360.18
IUPAC Name2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethanol;sulfuric acid
SMILESCCCCC(CC)COCCOCCOCCO.O=S(=O)(O)O
InChIInChI=1S/C14H30O4.H2O4S/c1-3-5-6-14(4-2)13-18-12-11-17-10-9-16-8-7-15;1-5(2,3)4/h14-15H,3-13H2,1-2H3;(H2,1,2,3,4)
InChIKeyWLALBXANKAOINA-UHFFFAOYSA-N
XLogP1.59
TPSA122.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 86129872
3-(2-ethylhexoxymethyl)heptane;sulfuric acid
CID 158892340
2-[2-[2-[2-[2-[2-(2-ethylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 177306208
1-[4-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]butoxy]dodecane
CID 129302674
2-(diethylamino)ethanol;2-[2-(2-ethylhexoxy)ethoxy]ethyl sulfate
CID 159608415
2-[2-(5-ethyldecoxy)ethoxy]ethanol
CID 176653086
3-[2-(2-chloroethoxy)ethoxymethyl]heptane
CID 63664806
sodium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87918776
4-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]benzenesulfonic acid
CID 90129308
2-[2-(2-ethylhexoxy)ethoxy]ethyl 2-methylbutanoate
CID 88869563
2-ethylhexoxymethanol
CID 18783221
2-[2-[2-[2-[2-(4-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 176653005

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethanol;sulfuric acid?
The IUPAC name of 2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethanol;sulfuric acid (CID 87749603) is 2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethanol;sulfuric acid.
What is the SMILES notation for 2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethanol;sulfuric acid?
The canonical SMILES for 2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethanol;sulfuric acid is CCCCC(CC)COCCOCCOCCO.O=S(=O)(O)O.
What is the InChIKey of 2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethanol;sulfuric acid?
The InChIKey is WLALBXANKAOINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4.H2O4S/c1-3-5-6-14(4-2)13-18-12-11-17-10-9-16-8-7-15;1-5(2,3)4/h14-15H,3-13H2,1-2H3;(H2,1,2,3,4).
What are the key properties of 2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethanol;sulfuric acid?
2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethanol;sulfuric acid has a molecular weight of 360.47 g/mol, XLogP of 1.59, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethanol;sulfuric acid is sourced from PubChem (CID 87749603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).