(1S,4S,7S,9R,10Z,13R)-9-hydroxy-5,5,9-trimethyl-3-oxatricyclo[5.5.1.04,13]tridec-10-ene-2,8-dione

C15H20O4 — CID 134155373

IUPAC(1S,4S,7S,9R,10Z,13R)-9-hydroxy-5,5,9-trimethyl-3-oxatricyclo[5.5.1.04,13]tridec-10-ene-2,8-dione
SMILESCC1(C)C[C@@H]2C(=O)[C@](C)(O)/C=C\C[C@@H]3C(=O)O[C@H]1[C@@H]32
InChIInChI=1S/C15H20O4/c1-14(2)7-9-10-8(13(17)19-12(10)14)5-4-6-15(3,18)11(9)16/h4,6,8-10,12,18H,5,7H2,1-3H3/b6-4-/t8-,9-,10-,12-,15+/m0/s1
InChIKeySSLFVMZIHSFCFN-DPLXHKJPSA-N
MW264.32 g/mol
LogP1.47
Rot. Bonds

About (1S,4S,7S,9R,10Z,13R)-9-hydroxy-5,5,9-trimethyl-3-oxatricyclo[5.5.1.04,13]tridec-10-ene-2,8-dione

(1S,4S,7S,9R,10Z,13R)-9-hydroxy-5,5,9-trimethyl-3-oxatricyclo[5.5.1.04,13]tridec-10-ene-2,8-dione (PubChem CID 134155373) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (1S,4S,7S,9R,10Z,13R)-9-hydroxy-5,5,9-trimethyl-3-oxatricyclo[5.5.1.04,13]tridec-10-ene-2,8-dione.

Molecular Properties

Compound Name(1S,4S,7S,9R,10Z,13R)-9-hydroxy-5,5,9-trimethyl-3-oxatricyclo[5.5.1.04,13]tridec-10-ene-2,8-dione
PubChem CID134155373
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(1S,4S,7S,9R,10Z,13R)-9-hydroxy-5,5,9-trimethyl-3-oxatricyclo[5.5.1.04,13]tridec-10-ene-2,8-dione
SMILESCC1(C)C[C@@H]2C(=O)[C@](C)(O)/C=C\C[C@@H]3C(=O)O[C@H]1[C@@H]32
InChIInChI=1S/C15H20O4/c1-14(2)7-9-10-8(13(17)19-12(10)14)5-4-6-15(3,18)11(9)16/h4,6,8-10,12,18H,5,7H2,1-3H3/b6-4-/t8-,9-,10-,12-,15+/m0/s1
InChIKeySSLFVMZIHSFCFN-DPLXHKJPSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,4S,7S,9R,10Z,13R)-9-hydroxy-5,5,9-trimethyl-3-oxatricyclo[5.5.1.04,13]tridec-10-ene-2,8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,4S,7S,9R,10Z,13R)-9-hydroxy-5,5,9-trimethyl-3-oxatricyclo[5.5.1.04,13]tridec-10-ene-2,8-dione?
The IUPAC name of (1S,4S,7S,9R,10Z,13R)-9-hydroxy-5,5,9-trimethyl-3-oxatricyclo[5.5.1.04,13]tridec-10-ene-2,8-dione (CID 134155373) is (1S,4S,7S,9R,10Z,13R)-9-hydroxy-5,5,9-trimethyl-3-oxatricyclo[5.5.1.04,13]tridec-10-ene-2,8-dione.
What is the SMILES notation for (1S,4S,7S,9R,10Z,13R)-9-hydroxy-5,5,9-trimethyl-3-oxatricyclo[5.5.1.04,13]tridec-10-ene-2,8-dione?
The canonical SMILES for (1S,4S,7S,9R,10Z,13R)-9-hydroxy-5,5,9-trimethyl-3-oxatricyclo[5.5.1.04,13]tridec-10-ene-2,8-dione is CC1(C)C[C@@H]2C(=O)[C@](C)(O)/C=C\C[C@@H]3C(=O)O[C@H]1[C@@H]32.
What is the InChIKey of (1S,4S,7S,9R,10Z,13R)-9-hydroxy-5,5,9-trimethyl-3-oxatricyclo[5.5.1.04,13]tridec-10-ene-2,8-dione?
The InChIKey is SSLFVMZIHSFCFN-DPLXHKJPSA-N. The full InChI is InChI=1S/C15H20O4/c1-14(2)7-9-10-8(13(17)19-12(10)14)5-4-6-15(3,18)11(9)16/h4,6,8-10,12,18H,5,7H2,1-3H3/b6-4-/t8-,9-,10-,12-,15+/m0/s1.
What are the key properties of (1S,4S,7S,9R,10Z,13R)-9-hydroxy-5,5,9-trimethyl-3-oxatricyclo[5.5.1.04,13]tridec-10-ene-2,8-dione?
(1S,4S,7S,9R,10Z,13R)-9-hydroxy-5,5,9-trimethyl-3-oxatricyclo[5.5.1.04,13]tridec-10-ene-2,8-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 (1S,4S,7S,9R,10Z,13R)-9-hydroxy-5,5,9-trimethyl-3-oxatricyclo[5.5.1.04,13]tridec-10-ene-2,8-dione is sourced from PubChem (CID 134155373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).