4-[1-(3-methylbut-2-enoxy)ethyl]-1-oxaspiro[2.5]octane

C14H24O2 — CID 134270911

IUPAC4-[1-(3-methylbut-2-enoxy)ethyl]-1-oxaspiro[2.5]octane
SMILESCC(C)=CCOC(C)C1CCCCC12CO2
InChIInChI=1S/C14H24O2/c1-11(2)7-9-15-12(3)13-6-4-5-8-14(13)10-16-14/h7,12-13H,4-6,8-10H2,1-3H3
InChIKeyAFOIRDVBUZZRKW-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.32
Rot. Bonds4

About 4-[1-(3-methylbut-2-enoxy)ethyl]-1-oxaspiro[2.5]octane

4-[1-(3-methylbut-2-enoxy)ethyl]-1-oxaspiro[2.5]octane (PubChem CID 134270911) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 4-[1-(3-methylbut-2-enoxy)ethyl]-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name4-[1-(3-methylbut-2-enoxy)ethyl]-1-oxaspiro[2.5]octane
PubChem CID134270911
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name4-[1-(3-methylbut-2-enoxy)ethyl]-1-oxaspiro[2.5]octane
SMILESCC(C)=CCOC(C)C1CCCCC12CO2
InChIInChI=1S/C14H24O2/c1-11(2)7-9-15-12(3)13-6-4-5-8-14(13)10-16-14/h7,12-13H,4-6,8-10H2,1-3H3
InChIKeyAFOIRDVBUZZRKW-UHFFFAOYSA-N
XLogP3.32
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methylbut-2-enoxy)ethyl]-1-oxaspiro[2.5]octane?
The IUPAC name of 4-[1-(3-methylbut-2-enoxy)ethyl]-1-oxaspiro[2.5]octane (CID 134270911) is 4-[1-(3-methylbut-2-enoxy)ethyl]-1-oxaspiro[2.5]octane.
What is the SMILES notation for 4-[1-(3-methylbut-2-enoxy)ethyl]-1-oxaspiro[2.5]octane?
The canonical SMILES for 4-[1-(3-methylbut-2-enoxy)ethyl]-1-oxaspiro[2.5]octane is CC(C)=CCOC(C)C1CCCCC12CO2.
What is the InChIKey of 4-[1-(3-methylbut-2-enoxy)ethyl]-1-oxaspiro[2.5]octane?
The InChIKey is AFOIRDVBUZZRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-11(2)7-9-15-12(3)13-6-4-5-8-14(13)10-16-14/h7,12-13H,4-6,8-10H2,1-3H3.
What are the key properties of 4-[1-(3-methylbut-2-enoxy)ethyl]-1-oxaspiro[2.5]octane?
4-[1-(3-methylbut-2-enoxy)ethyl]-1-oxaspiro[2.5]octane has a molecular weight of 224.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methylbut-2-enoxy)ethyl]-1-oxaspiro[2.5]octane is sourced from PubChem (CID 134270911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).