2-(5-cyclopropylidenepentoxy)oxane

C13H22O2 — CID 559092

IUPAC2-(5-cyclopropylidenepentoxy)oxane
SMILESC(CCCCOC1CCCCO1)=C1CC1
InChIInChI=1S/C13H22O2/c1(2-6-12-8-9-12)4-10-14-13-7-3-5-11-15-13/h6,13H,1-5,7-11H2
InChIKeyMWFYPHGLDWIAEB-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.42
Rot. Bonds6

About 2-(5-cyclopropylidenepentoxy)oxane

2-(5-cyclopropylidenepentoxy)oxane (PubChem CID 559092) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(5-cyclopropylidenepentoxy)oxane.

Molecular Properties

Compound Name2-(5-cyclopropylidenepentoxy)oxane
PubChem CID559092
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-(5-cyclopropylidenepentoxy)oxane
SMILESC(CCCCOC1CCCCO1)=C1CC1
InChIInChI=1S/C13H22O2/c1(2-6-12-8-9-12)4-10-14-13-7-3-5-11-15-13/h6,13H,1-5,7-11H2
InChIKeyMWFYPHGLDWIAEB-UHFFFAOYSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.42
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 2-(5-cyclopropylidenepentoxy)oxane?
The IUPAC name of 2-(5-cyclopropylidenepentoxy)oxane (CID 559092) is 2-(5-cyclopropylidenepentoxy)oxane.
What is the SMILES notation for 2-(5-cyclopropylidenepentoxy)oxane?
The canonical SMILES for 2-(5-cyclopropylidenepentoxy)oxane is C(CCCCOC1CCCCO1)=C1CC1.
What is the InChIKey of 2-(5-cyclopropylidenepentoxy)oxane?
The InChIKey is MWFYPHGLDWIAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1(2-6-12-8-9-12)4-10-14-13-7-3-5-11-15-13/h6,13H,1-5,7-11H2.
What are the key properties of 2-(5-cyclopropylidenepentoxy)oxane?
2-(5-cyclopropylidenepentoxy)oxane has a molecular weight of 210.32 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropylidenepentoxy)oxane is sourced from PubChem (CID 559092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).