2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid

C16H36O11S — CID 87748726

IUPAC2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid
SMILESCCC(C)OCCOCCOCCOCCOCCOCCO.O=S(=O)(O)O
InChIInChI=1S/C16H34O7.H2O4S/c1-3-16(2)23-15-14-22-13-12-21-11-10-20-9-8-19-7-6-18-5-4-17;1-5(2,3)4/h16-17H,3-15H2,1-2H3;(H2,1,2,3,4)
InChIKeyQINCBOSERJVUPH-UHFFFAOYSA-N
MW436.52 g/mol
LogP0.22
Rot. Bonds19

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

2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid (PubChem CID 87748726) has the molecular formula C16H36O11S and a molecular weight of 436.52 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid
PubChem CID87748726
Molecular FormulaC16H36O11S
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid
SMILESCCC(C)OCCOCCOCCOCCOCCOCCO.O=S(=O)(O)O
InChIInChI=1S/C16H34O7.H2O4S/c1-3-16(2)23-15-14-22-13-12-21-11-10-20-9-8-19-7-6-18-5-4-17;1-5(2,3)4/h16-17H,3-15H2,1-2H3;(H2,1,2,3,4)
InChIKeyQINCBOSERJVUPH-UHFFFAOYSA-N
XLogP0.22
TPSA150.21 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 50.22
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'}

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Related Compounds

2-butan-2-yloxyethanol;rutherfordium
CID 164705656
2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid
CID 87749078
2-[2-(2-pentan-2-yloxyethoxy)ethoxy]ethanol
CID 23132047
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid
CID 87626226
2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19893141
2-ethoxyethanol;sulfuric acid
CID 87749123
3-(2-butan-2-yloxyethoxy)propanoic acid
CID 59266758
2-(2-dodecan-2-yloxyethoxy)ethanol
CID 71420952
2-[2-(2-decan-2-yloxyethoxy)ethoxy]ethanol
CID 87813837
3-[(2R)-butan-2-yl]oxypropan-1-ol
CID 5315839
2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethanol;sulfuric acid
CID 87749603
4-butan-2-yloxybutane-1-sulfonic acid
CID 90852132

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid?
The IUPAC name of 2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid (CID 87748726) is 2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid.
What is the SMILES notation for 2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid?
The canonical SMILES for 2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid is CCC(C)OCCOCCOCCOCCOCCOCCO.O=S(=O)(O)O.
What is the InChIKey of 2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid?
The InChIKey is QINCBOSERJVUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O7.H2O4S/c1-3-16(2)23-15-14-22-13-12-21-11-10-20-9-8-19-7-6-18-5-4-17;1-5(2,3)4/h16-17H,3-15H2,1-2H3;(H2,1,2,3,4).
What are the key properties of 2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid?
2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid has a molecular weight of 436.52 g/mol, XLogP of 0.22, 19 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid is sourced from PubChem (CID 87748726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).