2-methyl-1-oxaspiro[2.5]octane

C8H14O — CID 10855461

IUPAC2-methyl-1-oxaspiro[2.5]octane
SMILESCC1OC12CCCCC2
InChIInChI=1S/C8H14O/c1-7-8(9-7)5-3-2-4-6-8/h7H,2-6H2,1H3
InChIKeyHDXAHMGUQPVMDL-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.11
Rot. Bonds

About 2-methyl-1-oxaspiro[2.5]octane

2-methyl-1-oxaspiro[2.5]octane (PubChem CID 10855461) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-methyl-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name2-methyl-1-oxaspiro[2.5]octane
PubChem CID10855461
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-methyl-1-oxaspiro[2.5]octane
SMILESCC1OC12CCCCC2
InChIInChI=1S/C8H14O/c1-7-8(9-7)5-3-2-4-6-8/h7H,2-6H2,1H3
InChIKeyHDXAHMGUQPVMDL-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
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 2-methyl-1-oxaspiro[2.5]octane?
The IUPAC name of 2-methyl-1-oxaspiro[2.5]octane (CID 10855461) is 2-methyl-1-oxaspiro[2.5]octane.
What is the SMILES notation for 2-methyl-1-oxaspiro[2.5]octane?
The canonical SMILES for 2-methyl-1-oxaspiro[2.5]octane is CC1OC12CCCCC2.
What is the InChIKey of 2-methyl-1-oxaspiro[2.5]octane?
The InChIKey is HDXAHMGUQPVMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-7-8(9-7)5-3-2-4-6-8/h7H,2-6H2,1H3.
What are the key properties of 2-methyl-1-oxaspiro[2.5]octane?
2-methyl-1-oxaspiro[2.5]octane has a molecular weight of 126.20 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-oxaspiro[2.5]octane is sourced from PubChem (CID 10855461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).