(9R,10R,14R)-15-oxatetracyclo[7.4.2.01,10.06,14]pentadec-6-ene-2,8-dione

C14H16O3 — CID 154707083

IUPAC(9R,10R,14R)-15-oxatetracyclo[7.4.2.01,10.06,14]pentadec-6-ene-2,8-dione
SMILESO=C1C=C2CCCC(=O)C34CCC[C@H]3[C@H]1O[C@H]24
InChIInChI=1S/C14H16O3/c15-10-7-8-3-1-5-11(16)14-6-2-4-9(14)12(10)17-13(8)14/h7,9,12-13H,1-6H2/t9-,12+,13+,14?/m0/s1
InChIKeyMVANVYFMCMNEKR-CGMJMLOCSA-N
MW232.28 g/mol
LogP1.80
Rot. Bonds

About (9R,10R,14R)-15-oxatetracyclo[7.4.2.01,10.06,14]pentadec-6-ene-2,8-dione

(9R,10R,14R)-15-oxatetracyclo[7.4.2.01,10.06,14]pentadec-6-ene-2,8-dione (PubChem CID 154707083) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is (9R,10R,14R)-15-oxatetracyclo[7.4.2.01,10.06,14]pentadec-6-ene-2,8-dione.

Molecular Properties

Compound Name(9R,10R,14R)-15-oxatetracyclo[7.4.2.01,10.06,14]pentadec-6-ene-2,8-dione
PubChem CID154707083
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name(9R,10R,14R)-15-oxatetracyclo[7.4.2.01,10.06,14]pentadec-6-ene-2,8-dione
SMILESO=C1C=C2CCCC(=O)C34CCC[C@H]3[C@H]1O[C@H]24
InChIInChI=1S/C14H16O3/c15-10-7-8-3-1-5-11(16)14-6-2-4-9(14)12(10)17-13(8)14/h7,9,12-13H,1-6H2/t9-,12+,13+,14?/m0/s1
InChIKeyMVANVYFMCMNEKR-CGMJMLOCSA-N
XLogP1.80
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (9R,10R,14R)-15-oxatetracyclo[7.4.2.01,10.06,14]pentadec-6-ene-2,8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (9R,10R,14R)-15-oxatetracyclo[7.4.2.01,10.06,14]pentadec-6-ene-2,8-dione?
The IUPAC name of (9R,10R,14R)-15-oxatetracyclo[7.4.2.01,10.06,14]pentadec-6-ene-2,8-dione (CID 154707083) is (9R,10R,14R)-15-oxatetracyclo[7.4.2.01,10.06,14]pentadec-6-ene-2,8-dione.
What is the SMILES notation for (9R,10R,14R)-15-oxatetracyclo[7.4.2.01,10.06,14]pentadec-6-ene-2,8-dione?
The canonical SMILES for (9R,10R,14R)-15-oxatetracyclo[7.4.2.01,10.06,14]pentadec-6-ene-2,8-dione is O=C1C=C2CCCC(=O)C34CCC[C@H]3[C@H]1O[C@H]24.
What is the InChIKey of (9R,10R,14R)-15-oxatetracyclo[7.4.2.01,10.06,14]pentadec-6-ene-2,8-dione?
The InChIKey is MVANVYFMCMNEKR-CGMJMLOCSA-N. The full InChI is InChI=1S/C14H16O3/c15-10-7-8-3-1-5-11(16)14-6-2-4-9(14)12(10)17-13(8)14/h7,9,12-13H,1-6H2/t9-,12+,13+,14?/m0/s1.
What are the key properties of (9R,10R,14R)-15-oxatetracyclo[7.4.2.01,10.06,14]pentadec-6-ene-2,8-dione?
(9R,10R,14R)-15-oxatetracyclo[7.4.2.01,10.06,14]pentadec-6-ene-2,8-dione has a molecular weight of 232.28 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,10R,14R)-15-oxatetracyclo[7.4.2.01,10.06,14]pentadec-6-ene-2,8-dione is sourced from PubChem (CID 154707083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).