(1R,2R,5R,6S,9S,10S)-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradecane-4,13-dione

C15H22O4 — CID 162923937

IUPAC(1R,2R,5R,6S,9S,10S)-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradecane-4,13-dione
SMILESC[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@@H]2C)[C@]2(C)OC(=O)CC[C@@H]12
InChIInChI=1S/C15H22O4/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(16)19-15/h8-11,13H,4-7H2,1-3H3/t8-,9+,10-,11-,13+,15+/m0/s1
InChIKeyZUHAFCDVANLIDK-MYBATQTQSA-N
MW266.34 g/mol
LogP2.31
Rot. Bonds

About (1R,2R,5R,6S,9S,10S)-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradecane-4,13-dione

(1R,2R,5R,6S,9S,10S)-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradecane-4,13-dione (PubChem CID 162923937) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (1R,2R,5R,6S,9S,10S)-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradecane-4,13-dione.

Molecular Properties

Compound Name(1R,2R,5R,6S,9S,10S)-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradecane-4,13-dione
PubChem CID162923937
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(1R,2R,5R,6S,9S,10S)-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradecane-4,13-dione
SMILESC[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@@H]2C)[C@]2(C)OC(=O)CC[C@@H]12
InChIInChI=1S/C15H22O4/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(16)19-15/h8-11,13H,4-7H2,1-3H3/t8-,9+,10-,11-,13+,15+/m0/s1
InChIKeyZUHAFCDVANLIDK-MYBATQTQSA-N
XLogP2.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,2R,5R,6S,9S,10S)-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradecane-4,13-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R,6S,9S,10S)-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradecane-4,13-dione?
The IUPAC name of (1R,2R,5R,6S,9S,10S)-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradecane-4,13-dione (CID 162923937) is (1R,2R,5R,6S,9S,10S)-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradecane-4,13-dione.
What is the SMILES notation for (1R,2R,5R,6S,9S,10S)-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradecane-4,13-dione?
The canonical SMILES for (1R,2R,5R,6S,9S,10S)-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradecane-4,13-dione is C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@@H]2C)[C@]2(C)OC(=O)CC[C@@H]12.
What is the InChIKey of (1R,2R,5R,6S,9S,10S)-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradecane-4,13-dione?
The InChIKey is ZUHAFCDVANLIDK-MYBATQTQSA-N. The full InChI is InChI=1S/C15H22O4/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(16)19-15/h8-11,13H,4-7H2,1-3H3/t8-,9+,10-,11-,13+,15+/m0/s1.
What are the key properties of (1R,2R,5R,6S,9S,10S)-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradecane-4,13-dione?
(1R,2R,5R,6S,9S,10S)-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradecane-4,13-dione has a molecular weight of 266.34 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R,6S,9S,10S)-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradecane-4,13-dione is sourced from PubChem (CID 162923937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).