(1R,2R,5S,6S,7R,8S)-2-hydroxy-5,6,8-trimethyl-10-oxatricyclo[5.3.3.01,6]tridec-11-ene-9,13-dione

C15H20O4 — CID 155521037

IUPAC(1R,2R,5S,6S,7R,8S)-2-hydroxy-5,6,8-trimethyl-10-oxatricyclo[5.3.3.01,6]tridec-11-ene-9,13-dione
SMILESC[C@@H]1C(=O)O[C@]23C=CC(=O)[C@H]1[C@]2(C)[C@@H](C)CC[C@H]3O
InChIInChI=1S/C15H20O4/c1-8-4-5-11(17)15-7-6-10(16)12(14(8,15)3)9(2)13(18)19-15/h6-9,11-12,17H,4-5H2,1-3H3/t8-,9-,11+,12-,14-,15-/m0/s1
InChIKeyHIINZLVONRNXNL-GUGUHVSSSA-N
MW264.32 g/mol
LogP1.47
Rot. Bonds

About (1R,2R,5S,6S,7R,8S)-2-hydroxy-5,6,8-trimethyl-10-oxatricyclo[5.3.3.01,6]tridec-11-ene-9,13-dione

(1R,2R,5S,6S,7R,8S)-2-hydroxy-5,6,8-trimethyl-10-oxatricyclo[5.3.3.01,6]tridec-11-ene-9,13-dione (PubChem CID 155521037) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (1R,2R,5S,6S,7R,8S)-2-hydroxy-5,6,8-trimethyl-10-oxatricyclo[5.3.3.01,6]tridec-11-ene-9,13-dione.

Molecular Properties

Compound Name(1R,2R,5S,6S,7R,8S)-2-hydroxy-5,6,8-trimethyl-10-oxatricyclo[5.3.3.01,6]tridec-11-ene-9,13-dione
PubChem CID155521037
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(1R,2R,5S,6S,7R,8S)-2-hydroxy-5,6,8-trimethyl-10-oxatricyclo[5.3.3.01,6]tridec-11-ene-9,13-dione
SMILESC[C@@H]1C(=O)O[C@]23C=CC(=O)[C@H]1[C@]2(C)[C@@H](C)CC[C@H]3O
InChIInChI=1S/C15H20O4/c1-8-4-5-11(17)15-7-6-10(16)12(14(8,15)3)9(2)13(18)19-15/h6-9,11-12,17H,4-5H2,1-3H3/t8-,9-,11+,12-,14-,15-/m0/s1
InChIKeyHIINZLVONRNXNL-GUGUHVSSSA-N
XLogP1.47
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,2R,5S,6S,7R,8S)-2-hydroxy-5,6,8-trimethyl-10-oxatricyclo[5.3.3.01,6]tridec-11-ene-9,13-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S,6S,7R,8S)-2-hydroxy-5,6,8-trimethyl-10-oxatricyclo[5.3.3.01,6]tridec-11-ene-9,13-dione?
The IUPAC name of (1R,2R,5S,6S,7R,8S)-2-hydroxy-5,6,8-trimethyl-10-oxatricyclo[5.3.3.01,6]tridec-11-ene-9,13-dione (CID 155521037) is (1R,2R,5S,6S,7R,8S)-2-hydroxy-5,6,8-trimethyl-10-oxatricyclo[5.3.3.01,6]tridec-11-ene-9,13-dione.
What is the SMILES notation for (1R,2R,5S,6S,7R,8S)-2-hydroxy-5,6,8-trimethyl-10-oxatricyclo[5.3.3.01,6]tridec-11-ene-9,13-dione?
The canonical SMILES for (1R,2R,5S,6S,7R,8S)-2-hydroxy-5,6,8-trimethyl-10-oxatricyclo[5.3.3.01,6]tridec-11-ene-9,13-dione is C[C@@H]1C(=O)O[C@]23C=CC(=O)[C@H]1[C@]2(C)[C@@H](C)CC[C@H]3O.
What is the InChIKey of (1R,2R,5S,6S,7R,8S)-2-hydroxy-5,6,8-trimethyl-10-oxatricyclo[5.3.3.01,6]tridec-11-ene-9,13-dione?
The InChIKey is HIINZLVONRNXNL-GUGUHVSSSA-N. The full InChI is InChI=1S/C15H20O4/c1-8-4-5-11(17)15-7-6-10(16)12(14(8,15)3)9(2)13(18)19-15/h6-9,11-12,17H,4-5H2,1-3H3/t8-,9-,11+,12-,14-,15-/m0/s1.
What are the key properties of (1R,2R,5S,6S,7R,8S)-2-hydroxy-5,6,8-trimethyl-10-oxatricyclo[5.3.3.01,6]tridec-11-ene-9,13-dione?
(1R,2R,5S,6S,7R,8S)-2-hydroxy-5,6,8-trimethyl-10-oxatricyclo[5.3.3.01,6]tridec-11-ene-9,13-dione has a molecular weight of 264.32 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S,6S,7R,8S)-2-hydroxy-5,6,8-trimethyl-10-oxatricyclo[5.3.3.01,6]tridec-11-ene-9,13-dione is sourced from PubChem (CID 155521037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).