6,6-dimethyl-2-methylidene-4,8-dioxaspiro[2.5]octane

C9H14O2 — CID 11105575

IUPAC6,6-dimethyl-2-methylidene-4,8-dioxaspiro[2.5]octane
SMILESC=C1CC12OCC(C)(C)CO2
InChIInChI=1S/C9H14O2/c1-7-4-9(7)10-5-8(2,3)6-11-9/h1,4-6H2,2-3H3
InChIKeyUOLAJAULFPZUNA-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.72
Rot. Bonds

About 6,6-dimethyl-2-methylidene-4,8-dioxaspiro[2.5]octane

6,6-dimethyl-2-methylidene-4,8-dioxaspiro[2.5]octane (PubChem CID 11105575) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 6,6-dimethyl-2-methylidene-4,8-dioxaspiro[2.5]octane.

Molecular Properties

Compound Name6,6-dimethyl-2-methylidene-4,8-dioxaspiro[2.5]octane
PubChem CID11105575
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name6,6-dimethyl-2-methylidene-4,8-dioxaspiro[2.5]octane
SMILESC=C1CC12OCC(C)(C)CO2
InChIInChI=1S/C9H14O2/c1-7-4-9(7)10-5-8(2,3)6-11-9/h1,4-6H2,2-3H3
InChIKeyUOLAJAULFPZUNA-UHFFFAOYSA-N
XLogP1.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-methylidene-4,8-dioxaspiro[2.5]octane?
The IUPAC name of 6,6-dimethyl-2-methylidene-4,8-dioxaspiro[2.5]octane (CID 11105575) is 6,6-dimethyl-2-methylidene-4,8-dioxaspiro[2.5]octane.
What is the SMILES notation for 6,6-dimethyl-2-methylidene-4,8-dioxaspiro[2.5]octane?
The canonical SMILES for 6,6-dimethyl-2-methylidene-4,8-dioxaspiro[2.5]octane is C=C1CC12OCC(C)(C)CO2.
What is the InChIKey of 6,6-dimethyl-2-methylidene-4,8-dioxaspiro[2.5]octane?
The InChIKey is UOLAJAULFPZUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-7-4-9(7)10-5-8(2,3)6-11-9/h1,4-6H2,2-3H3.
What are the key properties of 6,6-dimethyl-2-methylidene-4,8-dioxaspiro[2.5]octane?
6,6-dimethyl-2-methylidene-4,8-dioxaspiro[2.5]octane has a molecular weight of 154.21 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-methylidene-4,8-dioxaspiro[2.5]octane is sourced from PubChem (CID 11105575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).