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

C9H16O — CID 566718

IUPAC2,2-dimethyl-1-oxaspiro[2.5]octane
SMILESCC1(C)OC12CCCCC2
InChIInChI=1S/C9H16O/c1-8(2)9(10-8)6-4-3-5-7-9/h3-7H2,1-2H3
InChIKeySKDGQQJXVNIEMP-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.50
Rot. Bonds

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

2,2-dimethyl-1-oxaspiro[2.5]octane (PubChem CID 566718) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2,2-dimethyl-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name2,2-dimethyl-1-oxaspiro[2.5]octane
PubChem CID566718
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2,2-dimethyl-1-oxaspiro[2.5]octane
SMILESCC1(C)OC12CCCCC2
InChIInChI=1S/C9H16O/c1-8(2)9(10-8)6-4-3-5-7-9/h3-7H2,1-2H3
InChIKeySKDGQQJXVNIEMP-UHFFFAOYSA-N
XLogP2.50
TPSA12.53 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 ≤ 52.50
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 2,2-dimethyl-1-oxaspiro[2.5]octane?
The IUPAC name of 2,2-dimethyl-1-oxaspiro[2.5]octane (CID 566718) is 2,2-dimethyl-1-oxaspiro[2.5]octane.
What is the SMILES notation for 2,2-dimethyl-1-oxaspiro[2.5]octane?
The canonical SMILES for 2,2-dimethyl-1-oxaspiro[2.5]octane is CC1(C)OC12CCCCC2.
What is the InChIKey of 2,2-dimethyl-1-oxaspiro[2.5]octane?
The InChIKey is SKDGQQJXVNIEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-8(2)9(10-8)6-4-3-5-7-9/h3-7H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-oxaspiro[2.5]octane?
2,2-dimethyl-1-oxaspiro[2.5]octane has a molecular weight of 140.23 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-oxaspiro[2.5]octane is sourced from PubChem (CID 566718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).