(10-acetyloxy-1,6-dioxaspiro[4.5]decan-8-yl) acetate

C12H18O6 — CID 175838176

IUPAC(10-acetyloxy-1,6-dioxaspiro[4.5]decan-8-yl) acetate
SMILESCC(=O)OC1COC2(CCCO2)C(OC(C)=O)C1
InChIInChI=1S/C12H18O6/c1-8(13)17-10-6-11(18-9(2)14)12(16-7-10)4-3-5-15-12/h10-11H,3-7H2,1-2H3
InChIKeyFNMKTHYILDCJHE-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.78
Rot. Bonds2

About (10-acetyloxy-1,6-dioxaspiro[4.5]decan-8-yl) acetate

(10-acetyloxy-1,6-dioxaspiro[4.5]decan-8-yl) acetate (PubChem CID 175838176) has the molecular formula C12H18O6 and a molecular weight of 258.27 g/mol. Its IUPAC name is (10-acetyloxy-1,6-dioxaspiro[4.5]decan-8-yl) acetate.

Molecular Properties

Compound Name(10-acetyloxy-1,6-dioxaspiro[4.5]decan-8-yl) acetate
PubChem CID175838176
Molecular FormulaC12H18O6
Molecular Weight258.27 g/mol
Exact Mass258.11
IUPAC Name(10-acetyloxy-1,6-dioxaspiro[4.5]decan-8-yl) acetate
SMILESCC(=O)OC1COC2(CCCO2)C(OC(C)=O)C1
InChIInChI=1S/C12H18O6/c1-8(13)17-10-6-11(18-9(2)14)12(16-7-10)4-3-5-15-12/h10-11H,3-7H2,1-2H3
InChIKeyFNMKTHYILDCJHE-UHFFFAOYSA-N
XLogP0.78
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopropane;oxan-4-yl acetate
CID 69401848
(2,2-dimethyloxan-3-yl) acetate
CID 155712609
[(3S)-oxocan-3-yl] acetate
CID 92981900
[(2R,4R,5S,6R)-5-iodo-2-methyl-1,7-dioxaspiro[5.5]undecan-4-yl] acetate
CID 10689439
cycloheptadecyl acetate
CID 57215828
7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-yl acetate
CID 171402327
1,4-dioxaspiro[4.5]decan-8-yl acetate
CID 45037040
azane;cyclohexyl acetate
CID 174554221
cyclohexyl acetate;dihydrochloride
CID 140971070
(6-acetyloxycyclodecyl) acetate
CID 539578
[(5R,8S)-1-oxaspiro[4.4]nonan-8-yl] carbamate
CID 142807025
[(3S,4R,4aS)-6-oxospiro[1,4,4a,5-tetrahydrocyclopenta[c]pyran-3,2'-oxolane]-4-yl] acetate
CID 102353122

Frequently Asked Questions

What is the IUPAC name of (10-acetyloxy-1,6-dioxaspiro[4.5]decan-8-yl) acetate?
The IUPAC name of (10-acetyloxy-1,6-dioxaspiro[4.5]decan-8-yl) acetate (CID 175838176) is (10-acetyloxy-1,6-dioxaspiro[4.5]decan-8-yl) acetate.
What is the SMILES notation for (10-acetyloxy-1,6-dioxaspiro[4.5]decan-8-yl) acetate?
The canonical SMILES for (10-acetyloxy-1,6-dioxaspiro[4.5]decan-8-yl) acetate is CC(=O)OC1COC2(CCCO2)C(OC(C)=O)C1.
What is the InChIKey of (10-acetyloxy-1,6-dioxaspiro[4.5]decan-8-yl) acetate?
The InChIKey is FNMKTHYILDCJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O6/c1-8(13)17-10-6-11(18-9(2)14)12(16-7-10)4-3-5-15-12/h10-11H,3-7H2,1-2H3.
What are the key properties of (10-acetyloxy-1,6-dioxaspiro[4.5]decan-8-yl) acetate?
(10-acetyloxy-1,6-dioxaspiro[4.5]decan-8-yl) acetate has a molecular weight of 258.27 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (10-acetyloxy-1,6-dioxaspiro[4.5]decan-8-yl) acetate is sourced from PubChem (CID 175838176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).