5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one

C13H20O3 — CID 20789691

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

About 5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one

5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one (PubChem CID 20789691) 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-2,3'-oxolane]-2'-one.

Molecular Properties

Compound Name5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one
PubChem CID20789691
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one
SMILESCC1C2CC3(CC(C)(C)OC3=O)C(O2)C1C
InChIInChI=1S/C13H20O3/c1-7-8(2)10-13(5-9(7)15-10)6-12(3,4)16-11(13)14/h7-10H,5-6H2,1-4H3
InChIKeyKYHMDIIKUDRRAS-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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Frequently Asked Questions

What is the IUPAC name of 5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one?
The IUPAC name of 5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one (CID 20789691) is 5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one.
What is the SMILES notation for 5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one?
The canonical SMILES for 5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one is CC1C2CC3(CC(C)(C)OC3=O)C(O2)C1C.
What is the InChIKey of 5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one?
The InChIKey is KYHMDIIKUDRRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-7-8(2)10-13(5-9(7)15-10)6-12(3,4)16-11(13)14/h7-10H,5-6H2,1-4H3.
What are the key properties of 5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one?
5,5',5',6-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-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-2,3'-oxolane]-2'-one is sourced from PubChem (CID 20789691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).