8-cyclopropylidene-1,4-dioxaspiro[4.5]decane

C11H16O2 — CID 22502249

IUPAC8-cyclopropylidene-1,4-dioxaspiro[4.5]decane
SMILESC1COC2(CCC(=C3CC3)CC2)O1
InChIInChI=1S/C11H16O2/c1-2-9(1)10-3-5-11(6-4-10)12-7-8-13-11/h1-8H2
InChIKeyFYXHKJRZEUDEQT-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.39
Rot. Bonds

About 8-cyclopropylidene-1,4-dioxaspiro[4.5]decane

8-cyclopropylidene-1,4-dioxaspiro[4.5]decane (PubChem CID 22502249) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 8-cyclopropylidene-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-cyclopropylidene-1,4-dioxaspiro[4.5]decane
PubChem CID22502249
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name8-cyclopropylidene-1,4-dioxaspiro[4.5]decane
SMILESC1COC2(CCC(=C3CC3)CC2)O1
InChIInChI=1S/C11H16O2/c1-2-9(1)10-3-5-11(6-4-10)12-7-8-13-11/h1-8H2
InChIKeyFYXHKJRZEUDEQT-UHFFFAOYSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.39
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-cyclopropylidene-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-cyclopropylidene-1,4-dioxaspiro[4.5]decane (CID 22502249) is 8-cyclopropylidene-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-cyclopropylidene-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-cyclopropylidene-1,4-dioxaspiro[4.5]decane is C1COC2(CCC(=C3CC3)CC2)O1.
What is the InChIKey of 8-cyclopropylidene-1,4-dioxaspiro[4.5]decane?
The InChIKey is FYXHKJRZEUDEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-9(1)10-3-5-11(6-4-10)12-7-8-13-11/h1-8H2.
What are the key properties of 8-cyclopropylidene-1,4-dioxaspiro[4.5]decane?
8-cyclopropylidene-1,4-dioxaspiro[4.5]decane has a molecular weight of 180.25 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropylidene-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 22502249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).