8-(2-methylprop-2-enyl)-1,4-dioxaspiro[4.6]undecane

C13H22O2 — CID 57170508

IUPAC8-(2-methylprop-2-enyl)-1,4-dioxaspiro[4.6]undecane
SMILESC=C(C)CC1CCCC2(CC1)OCCO2
InChIInChI=1S/C13H22O2/c1-11(2)10-12-4-3-6-13(7-5-12)14-8-9-15-13/h12H,1,3-10H2,2H3
InChIKeyXGISGGKMYKCEPO-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.28
Rot. Bonds2

About 8-(2-methylprop-2-enyl)-1,4-dioxaspiro[4.6]undecane

8-(2-methylprop-2-enyl)-1,4-dioxaspiro[4.6]undecane (PubChem CID 57170508) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 8-(2-methylprop-2-enyl)-1,4-dioxaspiro[4.6]undecane.

Molecular Properties

Compound Name8-(2-methylprop-2-enyl)-1,4-dioxaspiro[4.6]undecane
PubChem CID57170508
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name8-(2-methylprop-2-enyl)-1,4-dioxaspiro[4.6]undecane
SMILESC=C(C)CC1CCCC2(CC1)OCCO2
InChIInChI=1S/C13H22O2/c1-11(2)10-12-4-3-6-13(7-5-12)14-8-9-15-13/h12H,1,3-10H2,2H3
InChIKeyXGISGGKMYKCEPO-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.28
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 8-(2-methylprop-2-enyl)-1,4-dioxaspiro[4.6]undecane?
The IUPAC name of 8-(2-methylprop-2-enyl)-1,4-dioxaspiro[4.6]undecane (CID 57170508) is 8-(2-methylprop-2-enyl)-1,4-dioxaspiro[4.6]undecane.
What is the SMILES notation for 8-(2-methylprop-2-enyl)-1,4-dioxaspiro[4.6]undecane?
The canonical SMILES for 8-(2-methylprop-2-enyl)-1,4-dioxaspiro[4.6]undecane is C=C(C)CC1CCCC2(CC1)OCCO2.
What is the InChIKey of 8-(2-methylprop-2-enyl)-1,4-dioxaspiro[4.6]undecane?
The InChIKey is XGISGGKMYKCEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-11(2)10-12-4-3-6-13(7-5-12)14-8-9-15-13/h12H,1,3-10H2,2H3.
What are the key properties of 8-(2-methylprop-2-enyl)-1,4-dioxaspiro[4.6]undecane?
8-(2-methylprop-2-enyl)-1,4-dioxaspiro[4.6]undecane has a molecular weight of 210.32 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylprop-2-enyl)-1,4-dioxaspiro[4.6]undecane is sourced from PubChem (CID 57170508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).