8-(3,6-dihydro-2H-pyran-2-yl)-1,4-dioxaspiro[4.5]decane

C13H20O3 — CID 58562553

IUPAC8-(3,6-dihydro-2H-pyran-2-yl)-1,4-dioxaspiro[4.5]decane
SMILESC1=CCC(C2CCC3(CC2)OCCO3)OC1
InChIInChI=1S/C13H20O3/c1-2-8-14-12(3-1)11-4-6-13(7-5-11)15-9-10-16-13/h1-2,11-12H,3-10H2
InChIKeyPZTYXCXCLUFVRK-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.26
Rot. Bonds1

About 8-(3,6-dihydro-2H-pyran-2-yl)-1,4-dioxaspiro[4.5]decane

8-(3,6-dihydro-2H-pyran-2-yl)-1,4-dioxaspiro[4.5]decane (PubChem CID 58562553) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 8-(3,6-dihydro-2H-pyran-2-yl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3,6-dihydro-2H-pyran-2-yl)-1,4-dioxaspiro[4.5]decane
PubChem CID58562553
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name8-(3,6-dihydro-2H-pyran-2-yl)-1,4-dioxaspiro[4.5]decane
SMILESC1=CCC(C2CCC3(CC2)OCCO3)OC1
InChIInChI=1S/C13H20O3/c1-2-8-14-12(3-1)11-4-6-13(7-5-11)15-9-10-16-13/h1-2,11-12H,3-10H2
InChIKeyPZTYXCXCLUFVRK-UHFFFAOYSA-N
XLogP2.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.26
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-(3,6-dihydro-2H-pyran-2-yl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(3,6-dihydro-2H-pyran-2-yl)-1,4-dioxaspiro[4.5]decane (CID 58562553) is 8-(3,6-dihydro-2H-pyran-2-yl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(3,6-dihydro-2H-pyran-2-yl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(3,6-dihydro-2H-pyran-2-yl)-1,4-dioxaspiro[4.5]decane is C1=CCC(C2CCC3(CC2)OCCO3)OC1.
What is the InChIKey of 8-(3,6-dihydro-2H-pyran-2-yl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is PZTYXCXCLUFVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-2-8-14-12(3-1)11-4-6-13(7-5-11)15-9-10-16-13/h1-2,11-12H,3-10H2.
What are the key properties of 8-(3,6-dihydro-2H-pyran-2-yl)-1,4-dioxaspiro[4.5]decane?
8-(3,6-dihydro-2H-pyran-2-yl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 224.30 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,6-dihydro-2H-pyran-2-yl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 58562553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).