7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-yl acetate

C14H22O6 — CID 171402327

IUPAC7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-yl acetate
SMILESCC(=O)OC1CCC2(CC1)OOC1(CCCCC1)OO2
InChIInChI=1S/C14H22O6/c1-11(15)16-12-5-9-14(10-6-12)19-17-13(18-20-14)7-3-2-4-8-13/h12H,2-10H2,1H3
InChIKeyURKYKYYCKGQCBA-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.76
Rot. Bonds1

About 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-yl acetate

7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-yl acetate (PubChem CID 171402327) has the molecular formula C14H22O6 and a molecular weight of 286.32 g/mol. Its IUPAC name is 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-yl acetate.

Molecular Properties

Compound Name7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-yl acetate
PubChem CID171402327
Molecular FormulaC14H22O6
Molecular Weight286.32 g/mol
Exact Mass286.14
IUPAC Name7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-yl acetate
SMILESCC(=O)OC1CCC2(CC1)OOC1(CCCCC1)OO2
InChIInChI=1S/C14H22O6/c1-11(15)16-12-5-9-14(10-6-12)19-17-13(18-20-14)7-3-2-4-8-13/h12H,2-10H2,1H3
InChIKeyURKYKYYCKGQCBA-UHFFFAOYSA-N
XLogP2.76
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1,4-dioxaspiro[4.5]decan-8-yl acetate
CID 45037040
cycloheptadecyl acetate
CID 57215828
azane;cyclohexyl acetate
CID 174554221
cyclohexyl acetate;dihydrochloride
CID 140971070
(6-acetyloxycyclodecyl) acetate
CID 539578
cyclopropane;oxan-4-yl acetate
CID 69401848
(4,4-diaminocyclohexyl) acetate
CID 174708289
lithium;carbanide;cyclohexyl acetate
CID 158677387
cyclohexyl acetate;iodoethane
CID 174262238
[(3S)-oxocan-3-yl] acetate
CID 92981900
[(E)-5-acetyloxypent-3-enyl] 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecane-12-carboxylate
CID 132504551
(2-oxo-oxacycloheptadec-7-yl) acetate
CID 54004174

Frequently Asked Questions

What is the IUPAC name of 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-yl acetate?
The IUPAC name of 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-yl acetate (CID 171402327) is 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-yl acetate.
What is the SMILES notation for 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-yl acetate?
The canonical SMILES for 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-yl acetate is CC(=O)OC1CCC2(CC1)OOC1(CCCCC1)OO2.
What is the InChIKey of 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-yl acetate?
The InChIKey is URKYKYYCKGQCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O6/c1-11(15)16-12-5-9-14(10-6-12)19-17-13(18-20-14)7-3-2-4-8-13/h12H,2-10H2,1H3.
What are the key properties of 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-yl acetate?
7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-yl acetate has a molecular weight of 286.32 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-yl acetate is sourced from PubChem (CID 171402327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).