7-oxadispiro[4.0.46.45]tetradec-12-en-11-one

C13H18O2 — CID 14932389

IUPAC7-oxadispiro[4.0.46.45]tetradec-12-en-11-one
SMILESO=C1C=CCC2(CCCC2)C12CCCO2
InChIInChI=1S/C13H18O2/c14-11-5-3-8-12(6-1-2-7-12)13(11)9-4-10-15-13/h3,5H,1-2,4,6-10H2
InChIKeyJXVHYGQFCONZFB-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.62
Rot. Bonds

About 7-oxadispiro[4.0.46.45]tetradec-12-en-11-one

7-oxadispiro[4.0.46.45]tetradec-12-en-11-one (PubChem CID 14932389) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 7-oxadispiro[4.0.46.45]tetradec-12-en-11-one.

Molecular Properties

Compound Name7-oxadispiro[4.0.46.45]tetradec-12-en-11-one
PubChem CID14932389
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name7-oxadispiro[4.0.46.45]tetradec-12-en-11-one
SMILESO=C1C=CCC2(CCCC2)C12CCCO2
InChIInChI=1S/C13H18O2/c14-11-5-3-8-12(6-1-2-7-12)13(11)9-4-10-15-13/h3,5H,1-2,4,6-10H2
InChIKeyJXVHYGQFCONZFB-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 ≤ 500206.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-oxadispiro[4.0.46.45]tetradec-12-en-11-one?
The IUPAC name of 7-oxadispiro[4.0.46.45]tetradec-12-en-11-one (CID 14932389) is 7-oxadispiro[4.0.46.45]tetradec-12-en-11-one.
What is the SMILES notation for 7-oxadispiro[4.0.46.45]tetradec-12-en-11-one?
The canonical SMILES for 7-oxadispiro[4.0.46.45]tetradec-12-en-11-one is O=C1C=CCC2(CCCC2)C12CCCO2.
What is the InChIKey of 7-oxadispiro[4.0.46.45]tetradec-12-en-11-one?
The InChIKey is JXVHYGQFCONZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c14-11-5-3-8-12(6-1-2-7-12)13(11)9-4-10-15-13/h3,5H,1-2,4,6-10H2.
What are the key properties of 7-oxadispiro[4.0.46.45]tetradec-12-en-11-one?
7-oxadispiro[4.0.46.45]tetradec-12-en-11-one has a molecular weight of 206.28 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 7-oxadispiro[4.0.46.45]tetradec-12-en-11-one is sourced from PubChem (CID 14932389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).