3-(3-ethenoxypropyl)oxane

C10H18O2 — CID 176603417

IUPAC3-(3-ethenoxypropyl)oxane
SMILESC=COCCCC1CCCOC1
InChIInChI=1S/C10H18O2/c1-2-11-7-3-5-10-6-4-8-12-9-10/h2,10H,1,3-9H2
InChIKeySECGXATZJXTEQY-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds5

About 3-(3-ethenoxypropyl)oxane

3-(3-ethenoxypropyl)oxane (PubChem CID 176603417) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-(3-ethenoxypropyl)oxane.

Molecular Properties

Compound Name3-(3-ethenoxypropyl)oxane
PubChem CID176603417
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-(3-ethenoxypropyl)oxane
SMILESC=COCCCC1CCCOC1
InChIInChI=1S/C10H18O2/c1-2-11-7-3-5-10-6-4-8-12-9-10/h2,10H,1,3-9H2
InChIKeySECGXATZJXTEQY-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-(3-ethenoxypropyl)oxane?
The IUPAC name of 3-(3-ethenoxypropyl)oxane (CID 176603417) is 3-(3-ethenoxypropyl)oxane.
What is the SMILES notation for 3-(3-ethenoxypropyl)oxane?
The canonical SMILES for 3-(3-ethenoxypropyl)oxane is C=COCCCC1CCCOC1.
What is the InChIKey of 3-(3-ethenoxypropyl)oxane?
The InChIKey is SECGXATZJXTEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-11-7-3-5-10-6-4-8-12-9-10/h2,10H,1,3-9H2.
What are the key properties of 3-(3-ethenoxypropyl)oxane?
3-(3-ethenoxypropyl)oxane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethenoxypropyl)oxane is sourced from PubChem (CID 176603417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).