(5S,7S,9R)-7,9-diphenyl-1,8,10-trioxaspiro[4.5]dec-3-en-2-one

C19H16O4 — CID 102347583

IUPAC(5S,7S,9R)-7,9-diphenyl-1,8,10-trioxaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=C[C@]2(C[C@@H](c3ccccc3)O[C@@H](c3ccccc3)O2)O1
InChIInChI=1S/C19H16O4/c20-17-11-12-19(22-17)13-16(14-7-3-1-4-8-14)21-18(23-19)15-9-5-2-6-10-15/h1-12,16,18H,13H2/t16-,18+,19-/m0/s1
InChIKeyNTOUGSABIMGASP-UHOSZYNNSA-N
MW308.33 g/mol
LogP3.67
Rot. Bonds2

About (5S,7S,9R)-7,9-diphenyl-1,8,10-trioxaspiro[4.5]dec-3-en-2-one

(5S,7S,9R)-7,9-diphenyl-1,8,10-trioxaspiro[4.5]dec-3-en-2-one (PubChem CID 102347583) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is (5S,7S,9R)-7,9-diphenyl-1,8,10-trioxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name(5S,7S,9R)-7,9-diphenyl-1,8,10-trioxaspiro[4.5]dec-3-en-2-one
PubChem CID102347583
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name(5S,7S,9R)-7,9-diphenyl-1,8,10-trioxaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=C[C@]2(C[C@@H](c3ccccc3)O[C@@H](c3ccccc3)O2)O1
InChIInChI=1S/C19H16O4/c20-17-11-12-19(22-17)13-16(14-7-3-1-4-8-14)21-18(23-19)15-9-5-2-6-10-15/h1-12,16,18H,13H2/t16-,18+,19-/m0/s1
InChIKeyNTOUGSABIMGASP-UHOSZYNNSA-N
XLogP3.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S,7S,9R)-7,9-diphenyl-1,8,10-trioxaspiro[4.5]dec-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S,7S,9R)-7,9-diphenyl-1,8,10-trioxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of (5S,7S,9R)-7,9-diphenyl-1,8,10-trioxaspiro[4.5]dec-3-en-2-one (CID 102347583) is (5S,7S,9R)-7,9-diphenyl-1,8,10-trioxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for (5S,7S,9R)-7,9-diphenyl-1,8,10-trioxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for (5S,7S,9R)-7,9-diphenyl-1,8,10-trioxaspiro[4.5]dec-3-en-2-one is O=C1C=C[C@]2(C[C@@H](c3ccccc3)O[C@@H](c3ccccc3)O2)O1.
What is the InChIKey of (5S,7S,9R)-7,9-diphenyl-1,8,10-trioxaspiro[4.5]dec-3-en-2-one?
The InChIKey is NTOUGSABIMGASP-UHOSZYNNSA-N. The full InChI is InChI=1S/C19H16O4/c20-17-11-12-19(22-17)13-16(14-7-3-1-4-8-14)21-18(23-19)15-9-5-2-6-10-15/h1-12,16,18H,13H2/t16-,18+,19-/m0/s1.
What are the key properties of (5S,7S,9R)-7,9-diphenyl-1,8,10-trioxaspiro[4.5]dec-3-en-2-one?
(5S,7S,9R)-7,9-diphenyl-1,8,10-trioxaspiro[4.5]dec-3-en-2-one has a molecular weight of 308.33 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S,9R)-7,9-diphenyl-1,8,10-trioxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 102347583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).