3-oxatetracyclo[11.2.1.02,6.08,10]hexadec-13(16)-ene-4,14-dione

C15H18O3 — CID 141086109

IUPAC3-oxatetracyclo[11.2.1.02,6.08,10]hexadec-13(16)-ene-4,14-dione
SMILESO=C1CC2CC3CC3CCC3=CC(CC3=O)C2O1
InChIInChI=1S/C15H18O3/c16-13-6-11-4-9(13)2-1-8-3-10(8)5-12-7-14(17)18-15(11)12/h4,8,10-12,15H,1-3,5-7H2
InChIKeyDAWVTHKJBYSLSE-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.25
Rot. Bonds

About 3-oxatetracyclo[11.2.1.02,6.08,10]hexadec-13(16)-ene-4,14-dione

3-oxatetracyclo[11.2.1.02,6.08,10]hexadec-13(16)-ene-4,14-dione (PubChem CID 141086109) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-oxatetracyclo[11.2.1.02,6.08,10]hexadec-13(16)-ene-4,14-dione.

Molecular Properties

Compound Name3-oxatetracyclo[11.2.1.02,6.08,10]hexadec-13(16)-ene-4,14-dione
PubChem CID141086109
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name3-oxatetracyclo[11.2.1.02,6.08,10]hexadec-13(16)-ene-4,14-dione
SMILESO=C1CC2CC3CC3CCC3=CC(CC3=O)C2O1
InChIInChI=1S/C15H18O3/c16-13-6-11-4-9(13)2-1-8-3-10(8)5-12-7-14(17)18-15(11)12/h4,8,10-12,15H,1-3,5-7H2
InChIKeyDAWVTHKJBYSLSE-UHFFFAOYSA-N
XLogP2.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxatetracyclo[11.2.1.02,6.08,10]hexadec-13(16)-ene-4,14-dione?
The IUPAC name of 3-oxatetracyclo[11.2.1.02,6.08,10]hexadec-13(16)-ene-4,14-dione (CID 141086109) is 3-oxatetracyclo[11.2.1.02,6.08,10]hexadec-13(16)-ene-4,14-dione.
What is the SMILES notation for 3-oxatetracyclo[11.2.1.02,6.08,10]hexadec-13(16)-ene-4,14-dione?
The canonical SMILES for 3-oxatetracyclo[11.2.1.02,6.08,10]hexadec-13(16)-ene-4,14-dione is O=C1CC2CC3CC3CCC3=CC(CC3=O)C2O1.
What is the InChIKey of 3-oxatetracyclo[11.2.1.02,6.08,10]hexadec-13(16)-ene-4,14-dione?
The InChIKey is DAWVTHKJBYSLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c16-13-6-11-4-9(13)2-1-8-3-10(8)5-12-7-14(17)18-15(11)12/h4,8,10-12,15H,1-3,5-7H2.
What are the key properties of 3-oxatetracyclo[11.2.1.02,6.08,10]hexadec-13(16)-ene-4,14-dione?
3-oxatetracyclo[11.2.1.02,6.08,10]hexadec-13(16)-ene-4,14-dione has a molecular weight of 246.31 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxatetracyclo[11.2.1.02,6.08,10]hexadec-13(16)-ene-4,14-dione is sourced from PubChem (CID 141086109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).