4-methyl-1-oxaspiro[2.5]octane

C8H14O — CID 11051659

IUPAC4-methyl-1-oxaspiro[2.5]octane
SMILESCC1CCCCC12CO2
InChIInChI=1S/C8H14O/c1-7-4-2-3-5-8(7)6-9-8/h7H,2-6H2,1H3
InChIKeyOEZJCNRSWITYNU-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.97
Rot. Bonds

About 4-methyl-1-oxaspiro[2.5]octane

4-methyl-1-oxaspiro[2.5]octane (PubChem CID 11051659) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 4-methyl-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name4-methyl-1-oxaspiro[2.5]octane
PubChem CID11051659
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name4-methyl-1-oxaspiro[2.5]octane
SMILESCC1CCCCC12CO2
InChIInChI=1S/C8H14O/c1-7-4-2-3-5-8(7)6-9-8/h7H,2-6H2,1H3
InChIKeyOEZJCNRSWITYNU-UHFFFAOYSA-N
XLogP1.97
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.97
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 4-methyl-1-oxaspiro[2.5]octane?
The IUPAC name of 4-methyl-1-oxaspiro[2.5]octane (CID 11051659) is 4-methyl-1-oxaspiro[2.5]octane.
What is the SMILES notation for 4-methyl-1-oxaspiro[2.5]octane?
The canonical SMILES for 4-methyl-1-oxaspiro[2.5]octane is CC1CCCCC12CO2.
What is the InChIKey of 4-methyl-1-oxaspiro[2.5]octane?
The InChIKey is OEZJCNRSWITYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-7-4-2-3-5-8(7)6-9-8/h7H,2-6H2,1H3.
What are the key properties of 4-methyl-1-oxaspiro[2.5]octane?
4-methyl-1-oxaspiro[2.5]octane has a molecular weight of 126.20 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-oxaspiro[2.5]octane is sourced from PubChem (CID 11051659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).