2,2,3-trimethylspiro[bicyclo[2.2.1]heptane-6,4'-oxolane]-2'-one

C13H20O2 — CID 21339973

IUPAC2,2,3-trimethylspiro[bicyclo[2.2.1]heptane-6,4'-oxolane]-2'-one
SMILESCC1C2CC(C3(COC(=O)C3)C2)C1(C)C
InChIInChI=1S/C13H20O2/c1-8-9-4-10(12(8,2)3)13(5-9)6-11(14)15-7-13/h8-10H,4-7H2,1-3H3
InChIKeyGRPSPEWXFYNUOX-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.62
Rot. Bonds

About 2,2,3-trimethylspiro[bicyclo[2.2.1]heptane-6,4'-oxolane]-2'-one

2,2,3-trimethylspiro[bicyclo[2.2.1]heptane-6,4'-oxolane]-2'-one (PubChem CID 21339973) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2,2,3-trimethylspiro[bicyclo[2.2.1]heptane-6,4'-oxolane]-2'-one.

Molecular Properties

Compound Name2,2,3-trimethylspiro[bicyclo[2.2.1]heptane-6,4'-oxolane]-2'-one
PubChem CID21339973
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2,2,3-trimethylspiro[bicyclo[2.2.1]heptane-6,4'-oxolane]-2'-one
SMILESCC1C2CC(C3(COC(=O)C3)C2)C1(C)C
InChIInChI=1S/C13H20O2/c1-8-9-4-10(12(8,2)3)13(5-9)6-11(14)15-7-13/h8-10H,4-7H2,1-3H3
InChIKeyGRPSPEWXFYNUOX-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethylspiro[bicyclo[2.2.1]heptane-6,4'-oxolane]-2'-one?
The IUPAC name of 2,2,3-trimethylspiro[bicyclo[2.2.1]heptane-6,4'-oxolane]-2'-one (CID 21339973) is 2,2,3-trimethylspiro[bicyclo[2.2.1]heptane-6,4'-oxolane]-2'-one.
What is the SMILES notation for 2,2,3-trimethylspiro[bicyclo[2.2.1]heptane-6,4'-oxolane]-2'-one?
The canonical SMILES for 2,2,3-trimethylspiro[bicyclo[2.2.1]heptane-6,4'-oxolane]-2'-one is CC1C2CC(C3(COC(=O)C3)C2)C1(C)C.
What is the InChIKey of 2,2,3-trimethylspiro[bicyclo[2.2.1]heptane-6,4'-oxolane]-2'-one?
The InChIKey is GRPSPEWXFYNUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-8-9-4-10(12(8,2)3)13(5-9)6-11(14)15-7-13/h8-10H,4-7H2,1-3H3.
What are the key properties of 2,2,3-trimethylspiro[bicyclo[2.2.1]heptane-6,4'-oxolane]-2'-one?
2,2,3-trimethylspiro[bicyclo[2.2.1]heptane-6,4'-oxolane]-2'-one has a molecular weight of 208.30 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethylspiro[bicyclo[2.2.1]heptane-6,4'-oxolane]-2'-one is sourced from PubChem (CID 21339973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).