1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethylpyrazole

C13H20N2O2 — CID 129139590

IUPAC1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethylpyrazole
SMILESCc1cc(C)n(C2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C13H20N2O2/c1-10-9-11(2)15(14-10)12-3-5-13(6-4-12)16-7-8-17-13/h9,12H,3-8H2,1-2H3
InChIKeyJDEXIRYFXMAYDY-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.36
Rot. Bonds1

About 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethylpyrazole

1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethylpyrazole (PubChem CID 129139590) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethylpyrazole
PubChem CID129139590
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethylpyrazole
SMILESCc1cc(C)n(C2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C13H20N2O2/c1-10-9-11(2)15(14-10)12-3-5-13(6-4-12)16-7-8-17-13/h9,12H,3-8H2,1-2H3
InChIKeyJDEXIRYFXMAYDY-UHFFFAOYSA-N
XLogP2.36
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethylpyrazole?
The IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethylpyrazole (CID 129139590) is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethylpyrazole?
The canonical SMILES for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethylpyrazole is Cc1cc(C)n(C2CCC3(CC2)OCCO3)n1.
What is the InChIKey of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethylpyrazole?
The InChIKey is JDEXIRYFXMAYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-9-11(2)15(14-10)12-3-5-13(6-4-12)16-7-8-17-13/h9,12H,3-8H2,1-2H3.
What are the key properties of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethylpyrazole?
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethylpyrazole has a molecular weight of 236.31 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethylpyrazole is sourced from PubChem (CID 129139590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).