13-oxabicyclo[9.3.1]pentadeca-1(14),11(15)-diene-3,12-dione

C14H18O3 — CID 10799699

IUPAC13-oxabicyclo[9.3.1]pentadeca-1(14),11(15)-diene-3,12-dione
SMILESO=C1CCCCCCCc2cc(coc2=O)C1
InChIInChI=1S/C14H18O3/c15-13-7-5-3-1-2-4-6-12-8-11(9-13)10-17-14(12)16/h8,10H,1-7,9H2
InChIKeyFXOUZQPHMMJAIB-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.65
Rot. Bonds

About 13-oxabicyclo[9.3.1]pentadeca-1(14),11(15)-diene-3,12-dione

13-oxabicyclo[9.3.1]pentadeca-1(14),11(15)-diene-3,12-dione (PubChem CID 10799699) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 13-oxabicyclo[9.3.1]pentadeca-1(14),11(15)-diene-3,12-dione.

Molecular Properties

Compound Name13-oxabicyclo[9.3.1]pentadeca-1(14),11(15)-diene-3,12-dione
PubChem CID10799699
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name13-oxabicyclo[9.3.1]pentadeca-1(14),11(15)-diene-3,12-dione
SMILESO=C1CCCCCCCc2cc(coc2=O)C1
InChIInChI=1S/C14H18O3/c15-13-7-5-3-1-2-4-6-12-8-11(9-13)10-17-14(12)16/h8,10H,1-7,9H2
InChIKeyFXOUZQPHMMJAIB-UHFFFAOYSA-N
XLogP2.65
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Sch 419560
CID 54710733
3-Hexyl-6-pentyl-4-hydroxyl-2h-pyran-2-one
CID 54678993
3-Oxo-cyclohex-1-enecarboxylic acid methyl ester
CID 581049
Sedanonic acid lactone
CID 10932278
3-Heptyl-6-hexyl-4-hydroxypyran-2-one
CID 137632123
6-Butyl-4-hydroxy-3-pentylpyran-2-one
CID 137647295
3-Decyl-4-hydroxy-6-methylpyran-2-one
CID 86101794
6-Heptyl-4-methoxy-3-methylpyran-2-one
CID 146684005
Sedanonic anhydride
CID 71514785
3-Hexyl-4-methoxy-6-pentylpyran-2-one
CID 24795380
4-Hydroxy-6-methyl-3-octylpyran-2-one
CID 100935594
3-Dodecyl-4-hydroxy-6-methylpyran-2-one
CID 145952128

Frequently Asked Questions

What is the IUPAC name of 13-oxabicyclo[9.3.1]pentadeca-1(14),11(15)-diene-3,12-dione?
The IUPAC name of 13-oxabicyclo[9.3.1]pentadeca-1(14),11(15)-diene-3,12-dione (CID 10799699) is 13-oxabicyclo[9.3.1]pentadeca-1(14),11(15)-diene-3,12-dione.
What is the SMILES notation for 13-oxabicyclo[9.3.1]pentadeca-1(14),11(15)-diene-3,12-dione?
The canonical SMILES for 13-oxabicyclo[9.3.1]pentadeca-1(14),11(15)-diene-3,12-dione is O=C1CCCCCCCc2cc(coc2=O)C1.
What is the InChIKey of 13-oxabicyclo[9.3.1]pentadeca-1(14),11(15)-diene-3,12-dione?
The InChIKey is FXOUZQPHMMJAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c15-13-7-5-3-1-2-4-6-12-8-11(9-13)10-17-14(12)16/h8,10H,1-7,9H2.
What are the key properties of 13-oxabicyclo[9.3.1]pentadeca-1(14),11(15)-diene-3,12-dione?
13-oxabicyclo[9.3.1]pentadeca-1(14),11(15)-diene-3,12-dione has a molecular weight of 234.29 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-oxabicyclo[9.3.1]pentadeca-1(14),11(15)-diene-3,12-dione is sourced from PubChem (CID 10799699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).