5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one

C13H20O3 — CID 20789692

IUPAC5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
SMILESCC1C2CC3(CC(=O)OC3(C)C)C(O2)C1C
InChIInChI=1S/C13H20O3/c1-7-8(2)11-13(5-9(7)15-11)6-10(14)16-12(13,3)4/h7-9,11H,5-6H2,1-4H3
InChIKeyOSABEJPRWLRFMV-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.14
Rot. Bonds

About 5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one

5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one (PubChem CID 20789692) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one.

Molecular Properties

Compound Name5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
PubChem CID20789692
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
SMILESCC1C2CC3(CC(=O)OC3(C)C)C(O2)C1C
InChIInChI=1S/C13H20O3/c1-7-8(2)11-13(5-9(7)15-11)6-10(14)16-12(13,3)4/h7-9,11H,5-6H2,1-4H3
InChIKeyOSABEJPRWLRFMV-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5',5'-dimethylspiro[11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,4'-oxolane]-2'-one
CID 20789736
4,4,5,5-tetramethyloxolan-2-one
CID 547832
4,5,5,6,6-pentamethyloxan-2-one
CID 134335471
(2R,4S,5S,6R)-5,9,10,10-tetramethyl-9-trimethylsilyloxy-3,11-dioxatetracyclo[4.4.3.01,6.02,4]tridecane-8,12-dione
CID 166448822
(1R,10R)-4-hydroxy-4,5,5,10-tetramethyl-7-oxatricyclo[4.3.3.01,6]dodecane-3,8-dione
CID 166448826
(4R)-4-(dichloromethyl)-4-methyloxetan-2-one
CID 131848322
(4S)-4-methyl-4-(3,5,7-trimethyl-1-adamantyl)oxetan-2-one
CID 7123511
2,2,3-trimethyl-6-oxabicyclo[3.1.0]hexane
CID 123178481
2,7-dimethyl-5,8-dioxaspiro[2.7]decane-4,9-dione
CID 70018181
(4R)-4-methyl-4-(trichloromethyl)oxetan-2-one
CID 5325909
[(2S,3R,4R,5R,8R,11S,15S)-15-hydroxy-5,8,11,15-tetramethyl-14-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] acetate
CID 44566458
(4S,5R)-5-ethynyl-4,5-dimethyloxolan-2-one
CID 143325335

Frequently Asked Questions

What is the IUPAC name of 5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one?
The IUPAC name of 5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one (CID 20789692) is 5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one.
What is the SMILES notation for 5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one?
The canonical SMILES for 5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one is CC1C2CC3(CC(=O)OC3(C)C)C(O2)C1C.
What is the InChIKey of 5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one?
The InChIKey is OSABEJPRWLRFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-7-8(2)11-13(5-9(7)15-11)6-10(14)16-12(13,3)4/h7-9,11H,5-6H2,1-4H3.
What are the key properties of 5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one?
5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one has a molecular weight of 224.30 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one is sourced from PubChem (CID 20789692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).