2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopropyl)methanone

C13H20O3 — CID 79920975

IUPAC2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopropyl)methanone
SMILESCC1CC1C(=O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H20O3/c1-9-6-11(9)12(14)10-2-4-16-13(7-10)3-5-15-8-13/h9-11H,2-8H2,1H3
InChIKeyGITKPPXWIBENSH-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.80
Rot. Bonds2

About 2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopropyl)methanone

2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopropyl)methanone (PubChem CID 79920975) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopropyl)methanone.

Molecular Properties

Compound Name2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopropyl)methanone
PubChem CID79920975
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopropyl)methanone
SMILESCC1CC1C(=O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H20O3/c1-9-6-11(9)12(14)10-2-4-16-13(7-10)3-5-15-8-13/h9-11H,2-8H2,1H3
InChIKeyGITKPPXWIBENSH-UHFFFAOYSA-N
XLogP1.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dioxaspiro[4.5]decan-9-yl-(2-methylpyrrolidin-3-yl)methanone
CID 116592083
(2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79921070
2,6-dioxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115787850
2,3-dihydro-1H-inden-2-yl(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 79909187
2,6-dioxaspiro[4.5]decan-9-yl-(2-methylfuran-3-yl)methanone
CID 104789251
3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
CID 116550718
2,6-dioxaspiro[4.5]decan-9-yl-(1-hydroxycyclopentyl)methanone
CID 103447799
2-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-one
CID 116548972
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 116549239
7-azabicyclo[2.2.1]heptan-2-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 116575972
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-1-one
CID 79913667
2-amino-2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
CID 116558477

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopropyl)methanone?
The IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopropyl)methanone (CID 79920975) is 2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopropyl)methanone.
What is the SMILES notation for 2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopropyl)methanone?
The canonical SMILES for 2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopropyl)methanone is CC1CC1C(=O)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopropyl)methanone?
The InChIKey is GITKPPXWIBENSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-9-6-11(9)12(14)10-2-4-16-13(7-10)3-5-15-8-13/h9-11H,2-8H2,1H3.
What are the key properties of 2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopropyl)methanone?
2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopropyl)methanone has a molecular weight of 224.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopropyl)methanone is sourced from PubChem (CID 79920975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).