2-(5-prop-2-enoxypentoxy)oxane

C13H24O3 — CID 10900391

IUPAC2-(5-prop-2-enoxypentoxy)oxane
SMILESC=CCOCCCCCOC1CCCCO1
InChIInChI=1S/C13H24O3/c1-2-9-14-10-5-3-6-11-15-13-8-4-7-12-16-13/h2,13H,1,3-12H2
InChIKeyBAUUAKHHFINMEW-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.90
Rot. Bonds9

About 2-(5-prop-2-enoxypentoxy)oxane

2-(5-prop-2-enoxypentoxy)oxane (PubChem CID 10900391) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-(5-prop-2-enoxypentoxy)oxane.

Molecular Properties

Compound Name2-(5-prop-2-enoxypentoxy)oxane
PubChem CID10900391
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name2-(5-prop-2-enoxypentoxy)oxane
SMILESC=CCOCCCCCOC1CCCCO1
InChIInChI=1S/C13H24O3/c1-2-9-14-10-5-3-6-11-15-13-8-4-7-12-16-13/h2,13H,1,3-12H2
InChIKeyBAUUAKHHFINMEW-UHFFFAOYSA-N
XLogP2.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-prop-2-enoxypentoxy)oxane?
The IUPAC name of 2-(5-prop-2-enoxypentoxy)oxane (CID 10900391) is 2-(5-prop-2-enoxypentoxy)oxane.
What is the SMILES notation for 2-(5-prop-2-enoxypentoxy)oxane?
The canonical SMILES for 2-(5-prop-2-enoxypentoxy)oxane is C=CCOCCCCCOC1CCCCO1.
What is the InChIKey of 2-(5-prop-2-enoxypentoxy)oxane?
The InChIKey is BAUUAKHHFINMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-2-9-14-10-5-3-6-11-15-13-8-4-7-12-16-13/h2,13H,1,3-12H2.
What are the key properties of 2-(5-prop-2-enoxypentoxy)oxane?
2-(5-prop-2-enoxypentoxy)oxane has a molecular weight of 228.33 g/mol, XLogP of 2.90, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-prop-2-enoxypentoxy)oxane is sourced from PubChem (CID 10900391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).