8-(2,5-dihydrofuran-2-yl)-1,4-dioxaspiro[4.5]decane

C12H18O3 — CID 58562854

IUPAC8-(2,5-dihydrofuran-2-yl)-1,4-dioxaspiro[4.5]decane
SMILESC1=CC(C2CCC3(CC2)OCCO3)OC1
InChIInChI=1S/C12H18O3/c1-2-11(13-7-1)10-3-5-12(6-4-10)14-8-9-15-12/h1-2,10-11H,3-9H2
InChIKeyHVYPKSTUUIVPEI-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.87
Rot. Bonds1

About 8-(2,5-dihydrofuran-2-yl)-1,4-dioxaspiro[4.5]decane

8-(2,5-dihydrofuran-2-yl)-1,4-dioxaspiro[4.5]decane (PubChem CID 58562854) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 8-(2,5-dihydrofuran-2-yl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2,5-dihydrofuran-2-yl)-1,4-dioxaspiro[4.5]decane
PubChem CID58562854
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name8-(2,5-dihydrofuran-2-yl)-1,4-dioxaspiro[4.5]decane
SMILESC1=CC(C2CCC3(CC2)OCCO3)OC1
InChIInChI=1S/C12H18O3/c1-2-11(13-7-1)10-3-5-12(6-4-10)14-8-9-15-12/h1-2,10-11H,3-9H2
InChIKeyHVYPKSTUUIVPEI-UHFFFAOYSA-N
XLogP1.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2,5-dihydrofuran-2-yl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(2,5-dihydrofuran-2-yl)-1,4-dioxaspiro[4.5]decane (CID 58562854) is 8-(2,5-dihydrofuran-2-yl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(2,5-dihydrofuran-2-yl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(2,5-dihydrofuran-2-yl)-1,4-dioxaspiro[4.5]decane is C1=CC(C2CCC3(CC2)OCCO3)OC1.
What is the InChIKey of 8-(2,5-dihydrofuran-2-yl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is HVYPKSTUUIVPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-2-11(13-7-1)10-3-5-12(6-4-10)14-8-9-15-12/h1-2,10-11H,3-9H2.
What are the key properties of 8-(2,5-dihydrofuran-2-yl)-1,4-dioxaspiro[4.5]decane?
8-(2,5-dihydrofuran-2-yl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 210.27 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dihydrofuran-2-yl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 58562854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).