5,5-dimethyl-2'-propan-2-ylspiro[1,3-dioxane-2,5'-6,7-dihydro-4H-indazole]

C15H24N2O2 — CID 59050179

IUPAC5,5-dimethyl-2'-propan-2-ylspiro[1,3-dioxane-2,5'-6,7-dihydro-4H-indazole]
SMILESCC(C)n1cc2c(n1)CCC1(C2)OCC(C)(C)CO1
InChIInChI=1S/C15H24N2O2/c1-11(2)17-8-12-7-15(6-5-13(12)16-17)18-9-14(3,4)10-19-15/h8,11H,5-7,9-10H2,1-4H3
InChIKeyBQFRSTHEMPUTSE-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.72
Rot. Bonds1

About 5,5-dimethyl-2'-propan-2-ylspiro[1,3-dioxane-2,5'-6,7-dihydro-4H-indazole]

5,5-dimethyl-2'-propan-2-ylspiro[1,3-dioxane-2,5'-6,7-dihydro-4H-indazole] (PubChem CID 59050179) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5,5-dimethyl-2'-propan-2-ylspiro[1,3-dioxane-2,5'-6,7-dihydro-4H-indazole].

Molecular Properties

Compound Name5,5-dimethyl-2'-propan-2-ylspiro[1,3-dioxane-2,5'-6,7-dihydro-4H-indazole]
PubChem CID59050179
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name5,5-dimethyl-2'-propan-2-ylspiro[1,3-dioxane-2,5'-6,7-dihydro-4H-indazole]
SMILESCC(C)n1cc2c(n1)CCC1(C2)OCC(C)(C)CO1
InChIInChI=1S/C15H24N2O2/c1-11(2)17-8-12-7-15(6-5-13(12)16-17)18-9-14(3,4)10-19-15/h8,11H,5-7,9-10H2,1-4H3
InChIKeyBQFRSTHEMPUTSE-UHFFFAOYSA-N
XLogP2.72
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2'-propan-2-ylspiro[1,3-dioxane-2,5'-6,7-dihydro-4H-indazole]?
The IUPAC name of 5,5-dimethyl-2'-propan-2-ylspiro[1,3-dioxane-2,5'-6,7-dihydro-4H-indazole] (CID 59050179) is 5,5-dimethyl-2'-propan-2-ylspiro[1,3-dioxane-2,5'-6,7-dihydro-4H-indazole].
What is the SMILES notation for 5,5-dimethyl-2'-propan-2-ylspiro[1,3-dioxane-2,5'-6,7-dihydro-4H-indazole]?
The canonical SMILES for 5,5-dimethyl-2'-propan-2-ylspiro[1,3-dioxane-2,5'-6,7-dihydro-4H-indazole] is CC(C)n1cc2c(n1)CCC1(C2)OCC(C)(C)CO1.
What is the InChIKey of 5,5-dimethyl-2'-propan-2-ylspiro[1,3-dioxane-2,5'-6,7-dihydro-4H-indazole]?
The InChIKey is BQFRSTHEMPUTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)17-8-12-7-15(6-5-13(12)16-17)18-9-14(3,4)10-19-15/h8,11H,5-7,9-10H2,1-4H3.
What are the key properties of 5,5-dimethyl-2'-propan-2-ylspiro[1,3-dioxane-2,5'-6,7-dihydro-4H-indazole]?
5,5-dimethyl-2'-propan-2-ylspiro[1,3-dioxane-2,5'-6,7-dihydro-4H-indazole] has a molecular weight of 264.37 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2'-propan-2-ylspiro[1,3-dioxane-2,5'-6,7-dihydro-4H-indazole] is sourced from PubChem (CID 59050179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).