1-ethenoxyhexane

C8H16O — CID 21460

IUPAC1-ethenoxyhexane
SMILESC=COCCCCCC
InChIInChI=1S/C8H16O/c1-3-5-6-7-8-9-4-2/h4H,2-3,5-8H2,1H3
InChIKeyYAOJJEJGPZRYJF-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.73
Rot. Bonds6

About 1-ethenoxyhexane

1-ethenoxyhexane (PubChem CID 21460) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 1-ethenoxyhexane.

Molecular Properties

Compound Name1-ethenoxyhexane
PubChem CID21460
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name1-ethenoxyhexane
SMILESC=COCCCCCC
InChIInChI=1S/C8H16O/c1-3-5-6-7-8-9-4-2/h4H,2-3,5-8H2,1H3
InChIKeyYAOJJEJGPZRYJF-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxyhexane?
The IUPAC name of 1-ethenoxyhexane (CID 21460) is 1-ethenoxyhexane.
What is the SMILES notation for 1-ethenoxyhexane?
The canonical SMILES for 1-ethenoxyhexane is C=COCCCCCC.
What is the InChIKey of 1-ethenoxyhexane?
The InChIKey is YAOJJEJGPZRYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-3-5-6-7-8-9-4-2/h4H,2-3,5-8H2,1H3.
What are the key properties of 1-ethenoxyhexane?
1-ethenoxyhexane has a molecular weight of 128.21 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxyhexane is sourced from PubChem (CID 21460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).