4-oct-1-en-3-yloxyoxane

C13H24O2 — CID 57148131

IUPAC4-oct-1-en-3-yloxyoxane
SMILESC=CC(CCCCC)OC1CCOCC1
InChIInChI=1S/C13H24O2/c1-3-5-6-7-12(4-2)15-13-8-10-14-11-9-13/h4,12-13H,2-3,5-11H2,1H3
InChIKeyKCMBOPJXSUNJMH-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.32
Rot. Bonds7

About 4-oct-1-en-3-yloxyoxane

4-oct-1-en-3-yloxyoxane (PubChem CID 57148131) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 4-oct-1-en-3-yloxyoxane.

Molecular Properties

Compound Name4-oct-1-en-3-yloxyoxane
PubChem CID57148131
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name4-oct-1-en-3-yloxyoxane
SMILESC=CC(CCCCC)OC1CCOCC1
InChIInChI=1S/C13H24O2/c1-3-5-6-7-12(4-2)15-13-8-10-14-11-9-13/h4,12-13H,2-3,5-11H2,1H3
InChIKeyKCMBOPJXSUNJMH-UHFFFAOYSA-N
XLogP3.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-oct-1-en-3-yloxyoxane?
The IUPAC name of 4-oct-1-en-3-yloxyoxane (CID 57148131) is 4-oct-1-en-3-yloxyoxane.
What is the SMILES notation for 4-oct-1-en-3-yloxyoxane?
The canonical SMILES for 4-oct-1-en-3-yloxyoxane is C=CC(CCCCC)OC1CCOCC1.
What is the InChIKey of 4-oct-1-en-3-yloxyoxane?
The InChIKey is KCMBOPJXSUNJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-5-6-7-12(4-2)15-13-8-10-14-11-9-13/h4,12-13H,2-3,5-11H2,1H3.
What are the key properties of 4-oct-1-en-3-yloxyoxane?
4-oct-1-en-3-yloxyoxane has a molecular weight of 212.33 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oct-1-en-3-yloxyoxane is sourced from PubChem (CID 57148131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).