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

C15H26O2 — CID 134270786

IUPAC4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane
SMILESCC(C)=CCOC(C)(C)C1CCCCC12CO2
InChIInChI=1S/C15H26O2/c1-12(2)8-10-16-14(3,4)13-7-5-6-9-15(13)11-17-15/h8,13H,5-7,9-11H2,1-4H3
InChIKeyHJOUFDKOBJMLCD-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.71
Rot. Bonds4

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

4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane (PubChem CID 134270786) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane
PubChem CID134270786
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane
SMILESCC(C)=CCOC(C)(C)C1CCCCC12CO2
InChIInChI=1S/C15H26O2/c1-12(2)8-10-16-14(3,4)13-7-5-6-9-15(13)11-17-15/h8,13H,5-7,9-11H2,1-4H3
InChIKeyHJOUFDKOBJMLCD-UHFFFAOYSA-N
XLogP3.71
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.71
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-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane?
The IUPAC name of 4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane (CID 134270786) is 4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane.
What is the SMILES notation for 4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane?
The canonical SMILES for 4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane is CC(C)=CCOC(C)(C)C1CCCCC12CO2.
What is the InChIKey of 4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane?
The InChIKey is HJOUFDKOBJMLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-12(2)8-10-16-14(3,4)13-7-5-6-9-15(13)11-17-15/h8,13H,5-7,9-11H2,1-4H3.
What are the key properties of 4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane?
4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane has a molecular weight of 238.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane is sourced from PubChem (CID 134270786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).