(1R,2R,9R,10R,14R)-2-methyl-15-oxatetracyclo[7.4.2.01,10.06,14]pentadeca-4,6-diene-8,11-dione

C15H16O3 — CID 139050057

IUPAC(1R,2R,9R,10R,14R)-2-methyl-15-oxatetracyclo[7.4.2.01,10.06,14]pentadeca-4,6-diene-8,11-dione
SMILESC[C@@H]1CC=CC2=CC(=O)[C@@H]3O[C@H]2[C@]12CCC(=O)[C@@H]32
InChIInChI=1S/C15H16O3/c1-8-3-2-4-9-7-11(17)13-12-10(16)5-6-15(8,12)14(9)18-13/h2,4,7-8,12-14H,3,5-6H2,1H3/t8-,12+,13+,14-,15-/m1/s1
InChIKeyVMEBCQHZVPAORX-JMEDSEKFSA-N
MW244.29 g/mol
LogP1.82
Rot. Bonds

About (1R,2R,9R,10R,14R)-2-methyl-15-oxatetracyclo[7.4.2.01,10.06,14]pentadeca-4,6-diene-8,11-dione

(1R,2R,9R,10R,14R)-2-methyl-15-oxatetracyclo[7.4.2.01,10.06,14]pentadeca-4,6-diene-8,11-dione (PubChem CID 139050057) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is (1R,2R,9R,10R,14R)-2-methyl-15-oxatetracyclo[7.4.2.01,10.06,14]pentadeca-4,6-diene-8,11-dione.

Molecular Properties

Compound Name(1R,2R,9R,10R,14R)-2-methyl-15-oxatetracyclo[7.4.2.01,10.06,14]pentadeca-4,6-diene-8,11-dione
PubChem CID139050057
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name(1R,2R,9R,10R,14R)-2-methyl-15-oxatetracyclo[7.4.2.01,10.06,14]pentadeca-4,6-diene-8,11-dione
SMILESC[C@@H]1CC=CC2=CC(=O)[C@@H]3O[C@H]2[C@]12CCC(=O)[C@@H]32
InChIInChI=1S/C15H16O3/c1-8-3-2-4-9-7-11(17)13-12-10(16)5-6-15(8,12)14(9)18-13/h2,4,7-8,12-14H,3,5-6H2,1H3/t8-,12+,13+,14-,15-/m1/s1
InChIKeyVMEBCQHZVPAORX-JMEDSEKFSA-N
XLogP1.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,2R,9R,10R,14R)-2-methyl-15-oxatetracyclo[7.4.2.01,10.06,14]pentadeca-4,6-diene-8,11-dione with MolForge

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Launch Full Analysis

Related Compounds

7-Methylene-4-isopropyl-12-oxa-tricyclo[4.4.2.01,5]-9-dodecen-2-one
CID 12814285
(1S,4R,5R,7R)-5-methyl-4-propan-2-yl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
CID 11458679
(1R,5R,7S)-5-methyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
CID 134910864
1-[(1S,7R)-9-methyl-11-oxatricyclo[5.3.1.02,6]undec-8-en-2-yl]ethanone
CID 134969426
(1R,4R,5S,7S)-5-methyl-4-propyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
CID 134987174
(9R,10R,14R)-15-oxatetracyclo[7.4.2.01,10.06,14]pentadec-6-ene-2,8-dione
CID 154707083
(1S,5S,6S,7S)-6-methyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
CID 102430835
8-Methyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
CID 130036456
5-Methyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
CID 130036537
(1S,5S,7R)-5-methyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
CID 130765337
(1S,5S,6R,7S)-6-methyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
CID 130870804
(1S,5S,7R)-8-methyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
CID 130956159

Frequently Asked Questions

What is the IUPAC name of (1R,2R,9R,10R,14R)-2-methyl-15-oxatetracyclo[7.4.2.01,10.06,14]pentadeca-4,6-diene-8,11-dione?
The IUPAC name of (1R,2R,9R,10R,14R)-2-methyl-15-oxatetracyclo[7.4.2.01,10.06,14]pentadeca-4,6-diene-8,11-dione (CID 139050057) is (1R,2R,9R,10R,14R)-2-methyl-15-oxatetracyclo[7.4.2.01,10.06,14]pentadeca-4,6-diene-8,11-dione.
What is the SMILES notation for (1R,2R,9R,10R,14R)-2-methyl-15-oxatetracyclo[7.4.2.01,10.06,14]pentadeca-4,6-diene-8,11-dione?
The canonical SMILES for (1R,2R,9R,10R,14R)-2-methyl-15-oxatetracyclo[7.4.2.01,10.06,14]pentadeca-4,6-diene-8,11-dione is C[C@@H]1CC=CC2=CC(=O)[C@@H]3O[C@H]2[C@]12CCC(=O)[C@@H]32.
What is the InChIKey of (1R,2R,9R,10R,14R)-2-methyl-15-oxatetracyclo[7.4.2.01,10.06,14]pentadeca-4,6-diene-8,11-dione?
The InChIKey is VMEBCQHZVPAORX-JMEDSEKFSA-N. The full InChI is InChI=1S/C15H16O3/c1-8-3-2-4-9-7-11(17)13-12-10(16)5-6-15(8,12)14(9)18-13/h2,4,7-8,12-14H,3,5-6H2,1H3/t8-,12+,13+,14-,15-/m1/s1.
What are the key properties of (1R,2R,9R,10R,14R)-2-methyl-15-oxatetracyclo[7.4.2.01,10.06,14]pentadeca-4,6-diene-8,11-dione?
(1R,2R,9R,10R,14R)-2-methyl-15-oxatetracyclo[7.4.2.01,10.06,14]pentadeca-4,6-diene-8,11-dione has a molecular weight of 244.29 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,9R,10R,14R)-2-methyl-15-oxatetracyclo[7.4.2.01,10.06,14]pentadeca-4,6-diene-8,11-dione is sourced from PubChem (CID 139050057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).