5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one

C12H18O2 — CID 18336187

IUPAC5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
SMILESCC1C2CC(C1C)C1(COC(=O)C1)C2
InChIInChI=1S/C12H18O2/c1-7-8(2)10-3-9(7)4-12(10)5-11(13)14-6-12/h7-10H,3-6H2,1-2H3
InChIKeyHCEPTAWLXPPADR-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.23
Rot. Bonds

About 5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one

5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one (PubChem CID 18336187) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one.

Molecular Properties

Compound Name5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
PubChem CID18336187
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
SMILESCC1C2CC(C1C)C1(COC(=O)C1)C2
InChIInChI=1S/C12H18O2/c1-7-8(2)10-3-9(7)4-12(10)5-11(13)14-6-12/h7-10H,3-6H2,1-2H3
InChIKeyHCEPTAWLXPPADR-UHFFFAOYSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one?
The IUPAC name of 5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one (CID 18336187) is 5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one.
What is the SMILES notation for 5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one?
The canonical SMILES for 5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one is CC1C2CC(C1C)C1(COC(=O)C1)C2.
What is the InChIKey of 5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one?
The InChIKey is HCEPTAWLXPPADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-7-8(2)10-3-9(7)4-12(10)5-11(13)14-6-12/h7-10H,3-6H2,1-2H3.
What are the key properties of 5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one?
5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one has a molecular weight of 194.27 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one is sourced from PubChem (CID 18336187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).