4-methylidene-1-oxaspiro[2.5]octane

C8H12O — CID 12671764

IUPAC4-methylidene-1-oxaspiro[2.5]octane
SMILESC=C1CCCCC12CO2
InChIInChI=1S/C8H12O/c1-7-4-2-3-5-8(7)6-9-8/h1-6H2
InChIKeyDMJPVPGCFJHZAK-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.89
Rot. Bonds

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

4-methylidene-1-oxaspiro[2.5]octane (PubChem CID 12671764) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 4-methylidene-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name4-methylidene-1-oxaspiro[2.5]octane
PubChem CID12671764
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name4-methylidene-1-oxaspiro[2.5]octane
SMILESC=C1CCCCC12CO2
InChIInChI=1S/C8H12O/c1-7-4-2-3-5-8(7)6-9-8/h1-6H2
InChIKeyDMJPVPGCFJHZAK-UHFFFAOYSA-N
XLogP1.89
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Methylene-1-oxaspiro[4.5]decane
CID 642945
2-Ethenyl-1-oxaspiro[2.5]octane
CID 11062454
(2R,3R)-2-cyclohexyl-3-prop-1-en-2-yloxirane
CID 135056455
1-Methyl-2-methylidene-7-oxabicyclo[4.1.0]heptane
CID 13530206
1-Prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane
CID 137359003
2-Butyl-2-hex-1-en-2-yloxirane
CID 145808811
4-Methylidene-1-oxaspiro[2.11]tetradecane
CID 13101993
2-Prop-1-en-2-yl-2-propyloxirane
CID 145011780

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1-oxaspiro[2.5]octane?
The IUPAC name of 4-methylidene-1-oxaspiro[2.5]octane (CID 12671764) is 4-methylidene-1-oxaspiro[2.5]octane.
What is the SMILES notation for 4-methylidene-1-oxaspiro[2.5]octane?
The canonical SMILES for 4-methylidene-1-oxaspiro[2.5]octane is C=C1CCCCC12CO2.
What is the InChIKey of 4-methylidene-1-oxaspiro[2.5]octane?
The InChIKey is DMJPVPGCFJHZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-7-4-2-3-5-8(7)6-9-8/h1-6H2.
What are the key properties of 4-methylidene-1-oxaspiro[2.5]octane?
4-methylidene-1-oxaspiro[2.5]octane has a molecular weight of 124.18 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-oxaspiro[2.5]octane is sourced from PubChem (CID 12671764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).