1,4-dioxaspiro[4.5]decan-8-yl acetate

C10H16O4 — CID 45037040

IUPAC1,4-dioxaspiro[4.5]decan-8-yl acetate
SMILESCC(=O)OC1CCC2(CC1)OCCO2
InChIInChI=1S/C10H16O4/c1-8(11)14-9-2-4-10(5-3-9)12-6-7-13-10/h9H,2-7H2,1H3
InChIKeyAWDZDJSARGZRJI-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.24
Rot. Bonds1

About 1,4-dioxaspiro[4.5]decan-8-yl acetate

1,4-dioxaspiro[4.5]decan-8-yl acetate (PubChem CID 45037040) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.5]decan-8-yl acetate.

Molecular Properties

Compound Name1,4-dioxaspiro[4.5]decan-8-yl acetate
PubChem CID45037040
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1,4-dioxaspiro[4.5]decan-8-yl acetate
SMILESCC(=O)OC1CCC2(CC1)OCCO2
InChIInChI=1S/C10H16O4/c1-8(11)14-9-2-4-10(5-3-9)12-6-7-13-10/h9H,2-7H2,1H3
InChIKeyAWDZDJSARGZRJI-UHFFFAOYSA-N
XLogP1.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-yl acetate
CID 171402327
(4,4-diaminocyclohexyl) acetate
CID 174708289
cyclopropane;oxan-4-yl acetate
CID 69401848
(6-acetyloxycyclodecyl) acetate
CID 539578
1,4-dioxaspiro[4.5]decan-8-yl cyclohexene-1-carboxylate
CID 75511359
cycloheptadecyl acetate
CID 57215828
azane;cyclohexyl acetate
CID 174554221
cyclohexyl acetate;dihydrochloride
CID 140971070
(4-ethyl-4-propan-2-ylcyclohexyl) acetate
CID 146244844
[4-(4-methoxycarbonyloxy-1-methylcyclohexyl)oxy-4-methylcyclohexyl] acetate
CID 59903872
1,4-dioxaspiro[4.5]decane-8-carbonyl chloride
CID 53440507
4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N,N-dimethylbutanamide
CID 113414160

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxaspiro[4.5]decan-8-yl acetate?
The IUPAC name of 1,4-dioxaspiro[4.5]decan-8-yl acetate (CID 45037040) is 1,4-dioxaspiro[4.5]decan-8-yl acetate.
What is the SMILES notation for 1,4-dioxaspiro[4.5]decan-8-yl acetate?
The canonical SMILES for 1,4-dioxaspiro[4.5]decan-8-yl acetate is CC(=O)OC1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxaspiro[4.5]decan-8-yl acetate?
The InChIKey is AWDZDJSARGZRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-8(11)14-9-2-4-10(5-3-9)12-6-7-13-10/h9H,2-7H2,1H3.
What are the key properties of 1,4-dioxaspiro[4.5]decan-8-yl acetate?
1,4-dioxaspiro[4.5]decan-8-yl acetate has a molecular weight of 200.23 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxaspiro[4.5]decan-8-yl acetate is sourced from PubChem (CID 45037040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).