6-(2-methylbutan-2-yl)-1-oxaspiro[2.5]octane

C12H22O — CID 62775070

IUPAC6-(2-methylbutan-2-yl)-1-oxaspiro[2.5]octane
SMILESCCC(C)(C)C1CCC2(CC1)CO2
InChIInChI=1S/C12H22O/c1-4-11(2,3)10-5-7-12(8-6-10)9-13-12/h10H,4-9H2,1-3H3
InChIKeyFZDLKKJXTWGKSP-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.38
Rot. Bonds2

About 6-(2-methylbutan-2-yl)-1-oxaspiro[2.5]octane

6-(2-methylbutan-2-yl)-1-oxaspiro[2.5]octane (PubChem CID 62775070) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 6-(2-methylbutan-2-yl)-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name6-(2-methylbutan-2-yl)-1-oxaspiro[2.5]octane
PubChem CID62775070
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name6-(2-methylbutan-2-yl)-1-oxaspiro[2.5]octane
SMILESCCC(C)(C)C1CCC2(CC1)CO2
InChIInChI=1S/C12H22O/c1-4-11(2,3)10-5-7-12(8-6-10)9-13-12/h10H,4-9H2,1-3H3
InChIKeyFZDLKKJXTWGKSP-UHFFFAOYSA-N
XLogP3.38
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbutan-2-yl)-1-oxaspiro[2.5]octane?
The IUPAC name of 6-(2-methylbutan-2-yl)-1-oxaspiro[2.5]octane (CID 62775070) is 6-(2-methylbutan-2-yl)-1-oxaspiro[2.5]octane.
What is the SMILES notation for 6-(2-methylbutan-2-yl)-1-oxaspiro[2.5]octane?
The canonical SMILES for 6-(2-methylbutan-2-yl)-1-oxaspiro[2.5]octane is CCC(C)(C)C1CCC2(CC1)CO2.
What is the InChIKey of 6-(2-methylbutan-2-yl)-1-oxaspiro[2.5]octane?
The InChIKey is FZDLKKJXTWGKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-4-11(2,3)10-5-7-12(8-6-10)9-13-12/h10H,4-9H2,1-3H3.
What are the key properties of 6-(2-methylbutan-2-yl)-1-oxaspiro[2.5]octane?
6-(2-methylbutan-2-yl)-1-oxaspiro[2.5]octane has a molecular weight of 182.31 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbutan-2-yl)-1-oxaspiro[2.5]octane is sourced from PubChem (CID 62775070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).