(2E)-6,6-dimethyl-2-(2-methylpropylidene)-4,8-dioxaspiro[2.5]octane

C12H20O2 — CID 10845571

IUPAC(2E)-6,6-dimethyl-2-(2-methylpropylidene)-4,8-dioxaspiro[2.5]octane
SMILESCC(C)/C=C1\CC12OCC(C)(C)CO2
InChIInChI=1S/C12H20O2/c1-9(2)5-10-6-12(10)13-7-11(3,4)8-14-12/h5,9H,6-8H2,1-4H3/b10-5+
InChIKeyYAOHUEULTGOUTL-BJMVGYQFSA-N
MW196.29 g/mol
LogP2.74
Rot. Bonds1

About (2E)-6,6-dimethyl-2-(2-methylpropylidene)-4,8-dioxaspiro[2.5]octane

(2E)-6,6-dimethyl-2-(2-methylpropylidene)-4,8-dioxaspiro[2.5]octane (PubChem CID 10845571) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (2E)-6,6-dimethyl-2-(2-methylpropylidene)-4,8-dioxaspiro[2.5]octane.

Molecular Properties

Compound Name(2E)-6,6-dimethyl-2-(2-methylpropylidene)-4,8-dioxaspiro[2.5]octane
PubChem CID10845571
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(2E)-6,6-dimethyl-2-(2-methylpropylidene)-4,8-dioxaspiro[2.5]octane
SMILESCC(C)/C=C1\CC12OCC(C)(C)CO2
InChIInChI=1S/C12H20O2/c1-9(2)5-10-6-12(10)13-7-11(3,4)8-14-12/h5,9H,6-8H2,1-4H3/b10-5+
InChIKeyYAOHUEULTGOUTL-BJMVGYQFSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E)-6,6-dimethyl-2-(2-methylpropylidene)-4,8-dioxaspiro[2.5]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-6,6-dimethyl-2-(2-methylpropylidene)-4,8-dioxaspiro[2.5]octane?
The IUPAC name of (2E)-6,6-dimethyl-2-(2-methylpropylidene)-4,8-dioxaspiro[2.5]octane (CID 10845571) is (2E)-6,6-dimethyl-2-(2-methylpropylidene)-4,8-dioxaspiro[2.5]octane.
What is the SMILES notation for (2E)-6,6-dimethyl-2-(2-methylpropylidene)-4,8-dioxaspiro[2.5]octane?
The canonical SMILES for (2E)-6,6-dimethyl-2-(2-methylpropylidene)-4,8-dioxaspiro[2.5]octane is CC(C)/C=C1\CC12OCC(C)(C)CO2.
What is the InChIKey of (2E)-6,6-dimethyl-2-(2-methylpropylidene)-4,8-dioxaspiro[2.5]octane?
The InChIKey is YAOHUEULTGOUTL-BJMVGYQFSA-N. The full InChI is InChI=1S/C12H20O2/c1-9(2)5-10-6-12(10)13-7-11(3,4)8-14-12/h5,9H,6-8H2,1-4H3/b10-5+.
What are the key properties of (2E)-6,6-dimethyl-2-(2-methylpropylidene)-4,8-dioxaspiro[2.5]octane?
(2E)-6,6-dimethyl-2-(2-methylpropylidene)-4,8-dioxaspiro[2.5]octane has a molecular weight of 196.29 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-6,6-dimethyl-2-(2-methylpropylidene)-4,8-dioxaspiro[2.5]octane is sourced from PubChem (CID 10845571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).