(4S,5S,7Z,10S)-4-hydroxy-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),7-diene-6,12-dione

C15H20O4 — CID 134152423

IUPAC(4S,5S,7Z,10S)-4-hydroxy-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),7-diene-6,12-dione
SMILESC[C@@H]1C(=O)/C=C\C(C)(C)[C@@H]2C=C(CC[C@@H]1O)C(=O)O2
InChIInChI=1S/C15H20O4/c1-9-11(16)5-4-10-8-13(19-14(10)18)15(2,3)7-6-12(9)17/h6-9,11,13,16H,4-5H2,1-3H3/b7-6-/t9-,11-,13-/m0/s1
InChIKeyFREFZGFGJVXERK-ZAZRFBMQSA-N
MW264.32 g/mol
LogP1.78
Rot. Bonds

About (4S,5S,7Z,10S)-4-hydroxy-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),7-diene-6,12-dione

(4S,5S,7Z,10S)-4-hydroxy-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),7-diene-6,12-dione (PubChem CID 134152423) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (4S,5S,7Z,10S)-4-hydroxy-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),7-diene-6,12-dione.

Molecular Properties

Compound Name(4S,5S,7Z,10S)-4-hydroxy-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),7-diene-6,12-dione
PubChem CID134152423
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(4S,5S,7Z,10S)-4-hydroxy-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),7-diene-6,12-dione
SMILESC[C@@H]1C(=O)/C=C\C(C)(C)[C@@H]2C=C(CC[C@@H]1O)C(=O)O2
InChIInChI=1S/C15H20O4/c1-9-11(16)5-4-10-8-13(19-14(10)18)15(2,3)7-6-12(9)17/h6-9,11,13,16H,4-5H2,1-3H3/b7-6-/t9-,11-,13-/m0/s1
InChIKeyFREFZGFGJVXERK-ZAZRFBMQSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S,5S,7Z,10S)-4-hydroxy-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),7-diene-6,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S,5S,7Z,10S)-4-hydroxy-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),7-diene-6,12-dione?
The IUPAC name of (4S,5S,7Z,10S)-4-hydroxy-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),7-diene-6,12-dione (CID 134152423) is (4S,5S,7Z,10S)-4-hydroxy-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),7-diene-6,12-dione.
What is the SMILES notation for (4S,5S,7Z,10S)-4-hydroxy-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),7-diene-6,12-dione?
The canonical SMILES for (4S,5S,7Z,10S)-4-hydroxy-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),7-diene-6,12-dione is C[C@@H]1C(=O)/C=C\C(C)(C)[C@@H]2C=C(CC[C@@H]1O)C(=O)O2.
What is the InChIKey of (4S,5S,7Z,10S)-4-hydroxy-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),7-diene-6,12-dione?
The InChIKey is FREFZGFGJVXERK-ZAZRFBMQSA-N. The full InChI is InChI=1S/C15H20O4/c1-9-11(16)5-4-10-8-13(19-14(10)18)15(2,3)7-6-12(9)17/h6-9,11,13,16H,4-5H2,1-3H3/b7-6-/t9-,11-,13-/m0/s1.
What are the key properties of (4S,5S,7Z,10S)-4-hydroxy-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),7-diene-6,12-dione?
(4S,5S,7Z,10S)-4-hydroxy-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),7-diene-6,12-dione has a molecular weight of 264.32 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S,7Z,10S)-4-hydroxy-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),7-diene-6,12-dione is sourced from PubChem (CID 134152423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).