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

C13H20O3 — CID 71424885

IUPAC(3R)-3-[(2R)-3,6-dihydro-2H-pyran-2-yl]-1,4-dioxaspiro[4.5]decane
SMILESC1=CC[C@H]([C@H]2COC3(CCCCC3)O2)OC1
InChIInChI=1S/C13H20O3/c1-3-7-13(8-4-1)15-10-12(16-13)11-6-2-5-9-14-11/h2,5,11-12H,1,3-4,6-10H2/t11-,12-/m1/s1
InChIKeyNAIKJBJMLHBRSJ-VXGBXAGGSA-N
MW224.30 g/mol
LogP2.41
Rot. Bonds1

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

(3R)-3-[(2R)-3,6-dihydro-2H-pyran-2-yl]-1,4-dioxaspiro[4.5]decane (PubChem CID 71424885) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is (3R)-3-[(2R)-3,6-dihydro-2H-pyran-2-yl]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3-[(2R)-3,6-dihydro-2H-pyran-2-yl]-1,4-dioxaspiro[4.5]decane
PubChem CID71424885
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name(3R)-3-[(2R)-3,6-dihydro-2H-pyran-2-yl]-1,4-dioxaspiro[4.5]decane
SMILESC1=CC[C@H]([C@H]2COC3(CCCCC3)O2)OC1
InChIInChI=1S/C13H20O3/c1-3-7-13(8-4-1)15-10-12(16-13)11-6-2-5-9-14-11/h2,5,11-12H,1,3-4,6-10H2/t11-,12-/m1/s1
InChIKeyNAIKJBJMLHBRSJ-VXGBXAGGSA-N
XLogP2.41
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 ≤ 52.41
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)-3,6-dihydro-2H-pyran-2-yl]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of (3R)-3-[(2R)-3,6-dihydro-2H-pyran-2-yl]-1,4-dioxaspiro[4.5]decane (CID 71424885) is (3R)-3-[(2R)-3,6-dihydro-2H-pyran-2-yl]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for (3R)-3-[(2R)-3,6-dihydro-2H-pyran-2-yl]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for (3R)-3-[(2R)-3,6-dihydro-2H-pyran-2-yl]-1,4-dioxaspiro[4.5]decane is C1=CC[C@H]([C@H]2COC3(CCCCC3)O2)OC1.
What is the InChIKey of (3R)-3-[(2R)-3,6-dihydro-2H-pyran-2-yl]-1,4-dioxaspiro[4.5]decane?
The InChIKey is NAIKJBJMLHBRSJ-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H20O3/c1-3-7-13(8-4-1)15-10-12(16-13)11-6-2-5-9-14-11/h2,5,11-12H,1,3-4,6-10H2/t11-,12-/m1/s1.
What are the key properties of (3R)-3-[(2R)-3,6-dihydro-2H-pyran-2-yl]-1,4-dioxaspiro[4.5]decane?
(3R)-3-[(2R)-3,6-dihydro-2H-pyran-2-yl]-1,4-dioxaspiro[4.5]decane has a molecular weight of 224.30 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2R)-3,6-dihydro-2H-pyran-2-yl]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 71424885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).