4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]oct-6-ene

C10H14O — CID 585001

IUPAC4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]oct-6-ene
SMILESC=C1C=CCC(C)(C)C12CO2
InChIInChI=1S/C10H14O/c1-8-5-4-6-9(2,3)10(8)7-11-10/h4-5H,1,6-7H2,2-3H3
InChIKeyAVBXGDSLHWBGTL-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.30
Rot. Bonds

About 4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]oct-6-ene

4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]oct-6-ene (PubChem CID 585001) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]oct-6-ene.

Molecular Properties

Compound Name4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]oct-6-ene
PubChem CID585001
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]oct-6-ene
SMILESC=C1C=CCC(C)(C)C12CO2
InChIInChI=1S/C10H14O/c1-8-5-4-6-9(2,3)10(8)7-11-10/h4-5H,1,6-7H2,2-3H3
InChIKeyAVBXGDSLHWBGTL-UHFFFAOYSA-N
XLogP2.30
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.30
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 4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]oct-6-ene?
The IUPAC name of 4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]oct-6-ene (CID 585001) is 4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]oct-6-ene.
What is the SMILES notation for 4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]oct-6-ene?
The canonical SMILES for 4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]oct-6-ene is C=C1C=CCC(C)(C)C12CO2.
What is the InChIKey of 4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]oct-6-ene?
The InChIKey is AVBXGDSLHWBGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-8-5-4-6-9(2,3)10(8)7-11-10/h4-5H,1,6-7H2,2-3H3.
What are the key properties of 4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]oct-6-ene?
4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]oct-6-ene has a molecular weight of 150.22 g/mol, XLogP of 2.30, 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]oct-6-ene is sourced from PubChem (CID 585001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).