2-hexoxyethanol;sulfuric acid

C8H20O6S — CID 87749798

IUPAC2-hexoxyethanol;sulfuric acid
SMILESCCCCCCOCCO.O=S(=O)(O)O
InChIInChI=1S/C8H18O2.H2O4S/c1-2-3-4-5-7-10-8-6-9;1-5(2,3)4/h9H,2-8H2,1H3;(H2,1,2,3,4)
InChIKeyKGTAKIRKVLMVID-UHFFFAOYSA-N
MW244.31 g/mol
LogP0.92
Rot. Bonds7

About 2-hexoxyethanol;sulfuric acid

2-hexoxyethanol;sulfuric acid (PubChem CID 87749798) has the molecular formula C8H20O6S and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-hexoxyethanol;sulfuric acid.

Molecular Properties

Compound Name2-hexoxyethanol;sulfuric acid
PubChem CID87749798
Molecular FormulaC8H20O6S
Molecular Weight244.31 g/mol
Exact Mass244.10
IUPAC Name2-hexoxyethanol;sulfuric acid
SMILESCCCCCCOCCO.O=S(=O)(O)O
InChIInChI=1S/C8H18O2.H2O4S/c1-2-3-4-5-7-10-8-6-9;1-5(2,3)4/h9H,2-8H2,1H3;(H2,1,2,3,4)
InChIKeyKGTAKIRKVLMVID-UHFFFAOYSA-N
XLogP0.92
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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2-heptoxyethanol
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potassium;hydride;1-octadecoxyoctadecane;sulfuric acid
CID 173372797
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CID 173005905
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2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-nonoxynonane
CID 22211981
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-pentadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139597034
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-heptadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 15607546
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595918

Frequently Asked Questions

What is the IUPAC name of 2-hexoxyethanol;sulfuric acid?
The IUPAC name of 2-hexoxyethanol;sulfuric acid (CID 87749798) is 2-hexoxyethanol;sulfuric acid.
What is the SMILES notation for 2-hexoxyethanol;sulfuric acid?
The canonical SMILES for 2-hexoxyethanol;sulfuric acid is CCCCCCOCCO.O=S(=O)(O)O.
What is the InChIKey of 2-hexoxyethanol;sulfuric acid?
The InChIKey is KGTAKIRKVLMVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2.H2O4S/c1-2-3-4-5-7-10-8-6-9;1-5(2,3)4/h9H,2-8H2,1H3;(H2,1,2,3,4).
What are the key properties of 2-hexoxyethanol;sulfuric acid?
2-hexoxyethanol;sulfuric acid has a molecular weight of 244.31 g/mol, XLogP of 0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxyethanol;sulfuric acid is sourced from PubChem (CID 87749798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).