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

C14H22O2 — CID 20593711

IUPAC5,5',5',6-tetramethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one
SMILESCC1C2CC(C1C)C1(C2)CC(C)(C)OC1=O
InChIInChI=1S/C14H22O2/c1-8-9(2)11-5-10(8)6-14(11)7-13(3,4)16-12(14)15/h8-11H,5-7H2,1-4H3
InChIKeyKFSNQNXAHNYSMD-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.01
Rot. Bonds

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

5,5',5',6-tetramethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one (PubChem CID 20593711) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 5,5',5',6-tetramethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one.

Molecular Properties

Compound Name5,5',5',6-tetramethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one
PubChem CID20593711
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name5,5',5',6-tetramethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one
SMILESCC1C2CC(C1C)C1(C2)CC(C)(C)OC1=O
InChIInChI=1S/C14H22O2/c1-8-9(2)11-5-10(8)6-14(11)7-13(3,4)16-12(14)15/h8-11H,5-7H2,1-4H3
InChIKeyKFSNQNXAHNYSMD-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5',5',6-tetramethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one?
The IUPAC name of 5,5',5',6-tetramethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one (CID 20593711) is 5,5',5',6-tetramethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one.
What is the SMILES notation for 5,5',5',6-tetramethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one?
The canonical SMILES for 5,5',5',6-tetramethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one is CC1C2CC(C1C)C1(C2)CC(C)(C)OC1=O.
What is the InChIKey of 5,5',5',6-tetramethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one?
The InChIKey is KFSNQNXAHNYSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-8-9(2)11-5-10(8)6-14(11)7-13(3,4)16-12(14)15/h8-11H,5-7H2,1-4H3.
What are the key properties of 5,5',5',6-tetramethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one?
5,5',5',6-tetramethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one has a molecular weight of 222.33 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5',5',6-tetramethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one is sourced from PubChem (CID 20593711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).