(1R,2S,5S,6S,9R,13R)-5,9,13-trimethyl-3,14-dioxatetracyclo[7.5.0.01,13.02,6]tetradecane-4,10-dione

C15H20O4 — CID 162938057

IUPAC(1R,2S,5S,6S,9R,13R)-5,9,13-trimethyl-3,14-dioxatetracyclo[7.5.0.01,13.02,6]tetradecane-4,10-dione
SMILESC[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)C(=O)CC[C@@]3(C)O[C@]231
InChIInChI=1S/C15H20O4/c1-8-9-4-6-13(2)10(16)5-7-14(3)15(13,19-14)11(9)18-12(8)17/h8-9,11H,4-7H2,1-3H3/t8-,9-,11-,13-,14+,15-/m0/s1
InChIKeyFKWYQLQOMUGIDI-OBRHJWQCSA-N
MW264.32 g/mol
LogP1.85
Rot. Bonds

About (1R,2S,5S,6S,9R,13R)-5,9,13-trimethyl-3,14-dioxatetracyclo[7.5.0.01,13.02,6]tetradecane-4,10-dione

(1R,2S,5S,6S,9R,13R)-5,9,13-trimethyl-3,14-dioxatetracyclo[7.5.0.01,13.02,6]tetradecane-4,10-dione (PubChem CID 162938057) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (1R,2S,5S,6S,9R,13R)-5,9,13-trimethyl-3,14-dioxatetracyclo[7.5.0.01,13.02,6]tetradecane-4,10-dione.

Molecular Properties

Compound Name(1R,2S,5S,6S,9R,13R)-5,9,13-trimethyl-3,14-dioxatetracyclo[7.5.0.01,13.02,6]tetradecane-4,10-dione
PubChem CID162938057
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(1R,2S,5S,6S,9R,13R)-5,9,13-trimethyl-3,14-dioxatetracyclo[7.5.0.01,13.02,6]tetradecane-4,10-dione
SMILESC[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)C(=O)CC[C@@]3(C)O[C@]231
InChIInChI=1S/C15H20O4/c1-8-9-4-6-13(2)10(16)5-7-14(3)15(13,19-14)11(9)18-12(8)17/h8-9,11H,4-7H2,1-3H3/t8-,9-,11-,13-,14+,15-/m0/s1
InChIKeyFKWYQLQOMUGIDI-OBRHJWQCSA-N
XLogP1.85
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1R,2S,5S,6S,9R,13R)-5,9,13-trimethyl-3,14-dioxatetracyclo[7.5.0.01,13.02,6]tetradecane-4,10-dione with MolForge

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(1R,2S,5S,6R,7S,9R,13R)-7-hydroxy-5,9,13-trimethyl-3,14-dioxatetracyclo[7.5.0.01,13.02,6]tetradecane-4,10-dione
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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S,6S,9R,13R)-5,9,13-trimethyl-3,14-dioxatetracyclo[7.5.0.01,13.02,6]tetradecane-4,10-dione?
The IUPAC name of (1R,2S,5S,6S,9R,13R)-5,9,13-trimethyl-3,14-dioxatetracyclo[7.5.0.01,13.02,6]tetradecane-4,10-dione (CID 162938057) is (1R,2S,5S,6S,9R,13R)-5,9,13-trimethyl-3,14-dioxatetracyclo[7.5.0.01,13.02,6]tetradecane-4,10-dione.
What is the SMILES notation for (1R,2S,5S,6S,9R,13R)-5,9,13-trimethyl-3,14-dioxatetracyclo[7.5.0.01,13.02,6]tetradecane-4,10-dione?
The canonical SMILES for (1R,2S,5S,6S,9R,13R)-5,9,13-trimethyl-3,14-dioxatetracyclo[7.5.0.01,13.02,6]tetradecane-4,10-dione is C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)C(=O)CC[C@@]3(C)O[C@]231.
What is the InChIKey of (1R,2S,5S,6S,9R,13R)-5,9,13-trimethyl-3,14-dioxatetracyclo[7.5.0.01,13.02,6]tetradecane-4,10-dione?
The InChIKey is FKWYQLQOMUGIDI-OBRHJWQCSA-N. The full InChI is InChI=1S/C15H20O4/c1-8-9-4-6-13(2)10(16)5-7-14(3)15(13,19-14)11(9)18-12(8)17/h8-9,11H,4-7H2,1-3H3/t8-,9-,11-,13-,14+,15-/m0/s1.
What are the key properties of (1R,2S,5S,6S,9R,13R)-5,9,13-trimethyl-3,14-dioxatetracyclo[7.5.0.01,13.02,6]tetradecane-4,10-dione?
(1R,2S,5S,6S,9R,13R)-5,9,13-trimethyl-3,14-dioxatetracyclo[7.5.0.01,13.02,6]tetradecane-4,10-dione has a molecular weight of 264.32 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S,6S,9R,13R)-5,9,13-trimethyl-3,14-dioxatetracyclo[7.5.0.01,13.02,6]tetradecane-4,10-dione is sourced from PubChem (CID 162938057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).