1-ethenoxy-2-ethoxyhexane

C10H20O2 — CID 139836867

IUPAC1-ethenoxy-2-ethoxyhexane
SMILESC=COCC(CCCC)OCC
InChIInChI=1S/C10H20O2/c1-4-7-8-10(12-6-3)9-11-5-2/h5,10H,2,4,6-9H2,1,3H3
InChIKeyWAHLLQFRMBCVMW-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.74
Rot. Bonds8

About 1-ethenoxy-2-ethoxyhexane

1-ethenoxy-2-ethoxyhexane (PubChem CID 139836867) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-ethenoxy-2-ethoxyhexane.

Molecular Properties

Compound Name1-ethenoxy-2-ethoxyhexane
PubChem CID139836867
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-ethenoxy-2-ethoxyhexane
SMILESC=COCC(CCCC)OCC
InChIInChI=1S/C10H20O2/c1-4-7-8-10(12-6-3)9-11-5-2/h5,10H,2,4,6-9H2,1,3H3
InChIKeyWAHLLQFRMBCVMW-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2-ethoxyhexane?
The IUPAC name of 1-ethenoxy-2-ethoxyhexane (CID 139836867) is 1-ethenoxy-2-ethoxyhexane.
What is the SMILES notation for 1-ethenoxy-2-ethoxyhexane?
The canonical SMILES for 1-ethenoxy-2-ethoxyhexane is C=COCC(CCCC)OCC.
What is the InChIKey of 1-ethenoxy-2-ethoxyhexane?
The InChIKey is WAHLLQFRMBCVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-7-8-10(12-6-3)9-11-5-2/h5,10H,2,4,6-9H2,1,3H3.
What are the key properties of 1-ethenoxy-2-ethoxyhexane?
1-ethenoxy-2-ethoxyhexane has a molecular weight of 172.27 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2-ethoxyhexane is sourced from PubChem (CID 139836867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).