2-hexoxyethanol

C8H18O2 — CID 8170

IUPAC2-hexoxyethanol
SMILESCCCCCCOCCO
InChIInChI=1S/C8H18O2/c1-2-3-4-5-7-10-8-6-9/h9H,2-8H2,1H3
InChIKeyUPGSWASWQBLSKZ-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.58
Rot. Bonds7

About 2-hexoxyethanol

2-hexoxyethanol (PubChem CID 8170) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-hexoxyethanol.

Molecular Properties

Compound Name2-hexoxyethanol
PubChem CID8170
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name2-hexoxyethanol
SMILESCCCCCCOCCO
InChIInChI=1S/C8H18O2/c1-2-3-4-5-7-10-8-6-9/h9H,2-8H2,1H3
InChIKeyUPGSWASWQBLSKZ-UHFFFAOYSA-N
XLogP1.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hexoxyethanol?
The IUPAC name of 2-hexoxyethanol (CID 8170) is 2-hexoxyethanol.
What is the SMILES notation for 2-hexoxyethanol?
The canonical SMILES for 2-hexoxyethanol is CCCCCCOCCO.
What is the InChIKey of 2-hexoxyethanol?
The InChIKey is UPGSWASWQBLSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-2-3-4-5-7-10-8-6-9/h9H,2-8H2,1H3.
What are the key properties of 2-hexoxyethanol?
2-hexoxyethanol has a molecular weight of 146.23 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxyethanol is sourced from PubChem (CID 8170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).