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

C7H10O2 — CID 67175350

IUPAC2-methylidene-4,8-dioxaspiro[2.5]octane
SMILESC=C1CC12OCCCO2
InChIInChI=1S/C7H10O2/c1-6-5-7(6)8-3-2-4-9-7/h1-5H2
InChIKeyKGWFCOWLSCUIGF-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.08
Rot. Bonds

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

2-methylidene-4,8-dioxaspiro[2.5]octane (PubChem CID 67175350) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-methylidene-4,8-dioxaspiro[2.5]octane.

Molecular Properties

Compound Name2-methylidene-4,8-dioxaspiro[2.5]octane
PubChem CID67175350
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name2-methylidene-4,8-dioxaspiro[2.5]octane
SMILESC=C1CC12OCCCO2
InChIInChI=1S/C7H10O2/c1-6-5-7(6)8-3-2-4-9-7/h1-5H2
InChIKeyKGWFCOWLSCUIGF-UHFFFAOYSA-N
XLogP1.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methylidene-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 2-methylidene-4,8-dioxaspiro[2.5]octane?
The IUPAC name of 2-methylidene-4,8-dioxaspiro[2.5]octane (CID 67175350) is 2-methylidene-4,8-dioxaspiro[2.5]octane.
What is the SMILES notation for 2-methylidene-4,8-dioxaspiro[2.5]octane?
The canonical SMILES for 2-methylidene-4,8-dioxaspiro[2.5]octane is C=C1CC12OCCCO2.
What is the InChIKey of 2-methylidene-4,8-dioxaspiro[2.5]octane?
The InChIKey is KGWFCOWLSCUIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-6-5-7(6)8-3-2-4-9-7/h1-5H2.
What are the key properties of 2-methylidene-4,8-dioxaspiro[2.5]octane?
2-methylidene-4,8-dioxaspiro[2.5]octane has a molecular weight of 126.16 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4,8-dioxaspiro[2.5]octane is sourced from PubChem (CID 67175350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).