(3R)-3-[(2R)-2,5-dihydrofuran-2-yl]-1,4-dioxaspiro[4.5]decane

C12H18O3 — CID 135038138

IUPAC(3R)-3-[(2R)-2,5-dihydrofuran-2-yl]-1,4-dioxaspiro[4.5]decane
SMILESC1=C[C@H]([C@H]2COC3(CCCCC3)O2)OC1
InChIInChI=1S/C12H18O3/c1-2-6-12(7-3-1)14-9-11(15-12)10-5-4-8-13-10/h4-5,10-11H,1-3,6-9H2/t10-,11-/m1/s1
InChIKeyTYBQKOVSMGLJEL-GHMZBOCLSA-N
MW210.27 g/mol
LogP2.02
Rot. Bonds1

About (3R)-3-[(2R)-2,5-dihydrofuran-2-yl]-1,4-dioxaspiro[4.5]decane

(3R)-3-[(2R)-2,5-dihydrofuran-2-yl]-1,4-dioxaspiro[4.5]decane (PubChem CID 135038138) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (3R)-3-[(2R)-2,5-dihydrofuran-2-yl]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3-[(2R)-2,5-dihydrofuran-2-yl]-1,4-dioxaspiro[4.5]decane
PubChem CID135038138
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(3R)-3-[(2R)-2,5-dihydrofuran-2-yl]-1,4-dioxaspiro[4.5]decane
SMILESC1=C[C@H]([C@H]2COC3(CCCCC3)O2)OC1
InChIInChI=1S/C12H18O3/c1-2-6-12(7-3-1)14-9-11(15-12)10-5-4-8-13-10/h4-5,10-11H,1-3,6-9H2/t10-,11-/m1/s1
InChIKeyTYBQKOVSMGLJEL-GHMZBOCLSA-N
XLogP2.02
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 ≤ 52.02
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 (3R)-3-[(2R)-2,5-dihydrofuran-2-yl]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of (3R)-3-[(2R)-2,5-dihydrofuran-2-yl]-1,4-dioxaspiro[4.5]decane (CID 135038138) is (3R)-3-[(2R)-2,5-dihydrofuran-2-yl]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for (3R)-3-[(2R)-2,5-dihydrofuran-2-yl]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for (3R)-3-[(2R)-2,5-dihydrofuran-2-yl]-1,4-dioxaspiro[4.5]decane is C1=C[C@H]([C@H]2COC3(CCCCC3)O2)OC1.
What is the InChIKey of (3R)-3-[(2R)-2,5-dihydrofuran-2-yl]-1,4-dioxaspiro[4.5]decane?
The InChIKey is TYBQKOVSMGLJEL-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H18O3/c1-2-6-12(7-3-1)14-9-11(15-12)10-5-4-8-13-10/h4-5,10-11H,1-3,6-9H2/t10-,11-/m1/s1.
What are the key properties of (3R)-3-[(2R)-2,5-dihydrofuran-2-yl]-1,4-dioxaspiro[4.5]decane?
(3R)-3-[(2R)-2,5-dihydrofuran-2-yl]-1,4-dioxaspiro[4.5]decane has a molecular weight of 210.27 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2R)-2,5-dihydrofuran-2-yl]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 135038138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).