4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]octane

C10H16O — CID 586296

IUPAC4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]octane
SMILESC=C1CCCC(C)(C)C12CO2
InChIInChI=1S/C10H16O/c1-8-5-4-6-9(2,3)10(8)7-11-10/h1,4-7H2,2-3H3
InChIKeySFWDLGPNHKQRCZ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.52
Rot. Bonds

About 4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]octane

4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]octane (PubChem CID 586296) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]octane
PubChem CID586296
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]octane
SMILESC=C1CCCC(C)(C)C12CO2
InChIInChI=1S/C10H16O/c1-8-5-4-6-9(2,3)10(8)7-11-10/h1,4-7H2,2-3H3
InChIKeySFWDLGPNHKQRCZ-UHFFFAOYSA-N
XLogP2.52
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.52
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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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]octane?
The IUPAC name of 4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]octane (CID 586296) is 4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]octane.
What is the SMILES notation for 4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]octane?
The canonical SMILES for 4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]octane is C=C1CCCC(C)(C)C12CO2.
What is the InChIKey of 4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]octane?
The InChIKey is SFWDLGPNHKQRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8-5-4-6-9(2,3)10(8)7-11-10/h1,4-7H2,2-3H3.
What are the key properties of 4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]octane?
4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]octane has a molecular weight of 152.24 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]octane is sourced from PubChem (CID 586296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).