1,2-dimethyl-6-oxaspiro[2.5]octane

C9H16O — CID 58482279

IUPAC1,2-dimethyl-6-oxaspiro[2.5]octane
SMILESCC1C(C)C12CCOCC2
InChIInChI=1S/C9H16O/c1-7-8(2)9(7)3-5-10-6-4-9/h7-8H,3-6H2,1-2H3
InChIKeyOAHIKSYOZHOYAI-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.07
Rot. Bonds

About 1,2-dimethyl-6-oxaspiro[2.5]octane

1,2-dimethyl-6-oxaspiro[2.5]octane (PubChem CID 58482279) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1,2-dimethyl-6-oxaspiro[2.5]octane.

Molecular Properties

Compound Name1,2-dimethyl-6-oxaspiro[2.5]octane
PubChem CID58482279
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1,2-dimethyl-6-oxaspiro[2.5]octane
SMILESCC1C(C)C12CCOCC2
InChIInChI=1S/C9H16O/c1-7-8(2)9(7)3-5-10-6-4-9/h7-8H,3-6H2,1-2H3
InChIKeyOAHIKSYOZHOYAI-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-6-oxaspiro[2.5]octane?
The IUPAC name of 1,2-dimethyl-6-oxaspiro[2.5]octane (CID 58482279) is 1,2-dimethyl-6-oxaspiro[2.5]octane.
What is the SMILES notation for 1,2-dimethyl-6-oxaspiro[2.5]octane?
The canonical SMILES for 1,2-dimethyl-6-oxaspiro[2.5]octane is CC1C(C)C12CCOCC2.
What is the InChIKey of 1,2-dimethyl-6-oxaspiro[2.5]octane?
The InChIKey is OAHIKSYOZHOYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7-8(2)9(7)3-5-10-6-4-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 1,2-dimethyl-6-oxaspiro[2.5]octane?
1,2-dimethyl-6-oxaspiro[2.5]octane has a molecular weight of 140.23 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-6-oxaspiro[2.5]octane is sourced from PubChem (CID 58482279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).