1,10-dioxaspiro[4.5]decan-4-one

C8H12O3 — CID 130030580

IUPAC1,10-dioxaspiro[4.5]decan-4-one
SMILESO=C1CCOC12CCCCO2
InChIInChI=1S/C8H12O3/c9-7-3-6-11-8(7)4-1-2-5-10-8/h1-6H2
InChIKeyJPUFXQSUTYKVGC-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.87
Rot. Bonds

About 1,10-dioxaspiro[4.5]decan-4-one

1,10-dioxaspiro[4.5]decan-4-one (PubChem CID 130030580) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1,10-dioxaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name1,10-dioxaspiro[4.5]decan-4-one
PubChem CID130030580
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name1,10-dioxaspiro[4.5]decan-4-one
SMILESO=C1CCOC12CCCCO2
InChIInChI=1S/C8H12O3/c9-7-3-6-11-8(7)4-1-2-5-10-8/h1-6H2
InChIKeyJPUFXQSUTYKVGC-UHFFFAOYSA-N
XLogP0.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-1-oxaspiro[5.5]undecan-11-one
CID 125451232
1,5-dioxa-9-azaspiro[5.5]undecan-11-one
CID 54164859
1-oxaspiro[4.5]decan-6-one
CID 14686607
2,2-dihydroxyoxolan-3-one
CID 141279517
5-oxaspiro[3.5]nonan-2-one
CID 171035049
(5R)-1-oxaspiro[4.4]nonan-9-one
CID 10630574
(5S)-1-oxaspiro[4.4]nonan-9-one
CID 10606823
2,2-dimethyloxolan-3-one
CID 13010294
spiro[furo[3,4-b]pyridine-7,2'-oxane]-5-one
CID 101490348
(6S,8S)-8-methyl-1-oxaspiro[5.5]undecan-11-one
CID 125454730
2,5-dioxaspiro[3.4]octan-8-one
CID 155894796
spiro[5.6]dodecane-5,12-dione
CID 534624

Frequently Asked Questions

What is the IUPAC name of 1,10-dioxaspiro[4.5]decan-4-one?
The IUPAC name of 1,10-dioxaspiro[4.5]decan-4-one (CID 130030580) is 1,10-dioxaspiro[4.5]decan-4-one.
What is the SMILES notation for 1,10-dioxaspiro[4.5]decan-4-one?
The canonical SMILES for 1,10-dioxaspiro[4.5]decan-4-one is O=C1CCOC12CCCCO2.
What is the InChIKey of 1,10-dioxaspiro[4.5]decan-4-one?
The InChIKey is JPUFXQSUTYKVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c9-7-3-6-11-8(7)4-1-2-5-10-8/h1-6H2.
What are the key properties of 1,10-dioxaspiro[4.5]decan-4-one?
1,10-dioxaspiro[4.5]decan-4-one has a molecular weight of 156.18 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dioxaspiro[4.5]decan-4-one is sourced from PubChem (CID 130030580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).