4-methylidene-1,7-dioxaspiro[5.5]undecane

C10H16O2 — CID 15162521

IUPAC4-methylidene-1,7-dioxaspiro[5.5]undecane
SMILESC=C1CCOC2(CCCCO2)C1
InChIInChI=1S/C10H16O2/c1-9-4-7-12-10(8-9)5-2-3-6-11-10/h1-8H2
InChIKeyGCSOFARIYYVEPM-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.25
Rot. Bonds

About 4-methylidene-1,7-dioxaspiro[5.5]undecane

4-methylidene-1,7-dioxaspiro[5.5]undecane (PubChem CID 15162521) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-methylidene-1,7-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name4-methylidene-1,7-dioxaspiro[5.5]undecane
PubChem CID15162521
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-methylidene-1,7-dioxaspiro[5.5]undecane
SMILESC=C1CCOC2(CCCCO2)C1
InChIInChI=1S/C10H16O2/c1-9-4-7-12-10(8-9)5-2-3-6-11-10/h1-8H2
InChIKeyGCSOFARIYYVEPM-UHFFFAOYSA-N
XLogP2.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.25
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 4-methylidene-1,7-dioxaspiro[5.5]undecane?
The IUPAC name of 4-methylidene-1,7-dioxaspiro[5.5]undecane (CID 15162521) is 4-methylidene-1,7-dioxaspiro[5.5]undecane.
What is the SMILES notation for 4-methylidene-1,7-dioxaspiro[5.5]undecane?
The canonical SMILES for 4-methylidene-1,7-dioxaspiro[5.5]undecane is C=C1CCOC2(CCCCO2)C1.
What is the InChIKey of 4-methylidene-1,7-dioxaspiro[5.5]undecane?
The InChIKey is GCSOFARIYYVEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9-4-7-12-10(8-9)5-2-3-6-11-10/h1-8H2.
What are the key properties of 4-methylidene-1,7-dioxaspiro[5.5]undecane?
4-methylidene-1,7-dioxaspiro[5.5]undecane has a molecular weight of 168.24 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1,7-dioxaspiro[5.5]undecane is sourced from PubChem (CID 15162521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).