(6R,7S)-6,7-diphenyl-5,8-dioxaspiro[2.6]nonane-4,9-dione

C19H16O4 — CID 139042269

IUPAC(6R,7S)-6,7-diphenyl-5,8-dioxaspiro[2.6]nonane-4,9-dione
SMILESO=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)OC(=O)C12CC2
InChIInChI=1S/C19H16O4/c20-17-19(11-12-19)18(21)23-16(14-9-5-2-6-10-14)15(22-17)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-,16+
InChIKeyPYQRZULZHXGKHP-IYBDPMFKSA-N
MW308.33 g/mol
LogP3.35
Rot. Bonds2

About (6R,7S)-6,7-diphenyl-5,8-dioxaspiro[2.6]nonane-4,9-dione

(6R,7S)-6,7-diphenyl-5,8-dioxaspiro[2.6]nonane-4,9-dione (PubChem CID 139042269) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is (6R,7S)-6,7-diphenyl-5,8-dioxaspiro[2.6]nonane-4,9-dione.

Molecular Properties

Compound Name(6R,7S)-6,7-diphenyl-5,8-dioxaspiro[2.6]nonane-4,9-dione
PubChem CID139042269
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name(6R,7S)-6,7-diphenyl-5,8-dioxaspiro[2.6]nonane-4,9-dione
SMILESO=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)OC(=O)C12CC2
InChIInChI=1S/C19H16O4/c20-17-19(11-12-19)18(21)23-16(14-9-5-2-6-10-14)15(22-17)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-,16+
InChIKeyPYQRZULZHXGKHP-IYBDPMFKSA-N
XLogP3.35
TPSA52.60 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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

10-phenyl-9-oxadispiro[2.1.25.33]decane-4,8-dione
CID 10105781
4-ethyl-3-phenyl-2-oxaspiro[5.5]undecane-1,5-dione
CID 2905137
(16R)-16-phenyl-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione
CID 880512
3,3-dimethyl-6-phenyloxan-2-one
CID 171853852
1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 13310359
(1R,4S,5S)-1-acetyl-4-phenyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 11183528
(1S)-4,4-dimethyl-1-phenyl-2-oxaspiro[5.5]undecane-3,5-dione
CID 706721
3,3-dichloro-4-phenyloxetan-2-one
CID 12622625
(4R,5R)-4-(4-methylphenyl)-5-phenyl-1,3-dioxolan-2-one
CID 177461861
(4S,5S)-4-amino-5-phenyloxolan-2-one
CID 10867626
5,6-diphenyl-5,6-diazaspiro[2.4]heptane-4,7-dione
CID 171843834
2-phenyl-1,3-dioxane-4,6-dione;silane
CID 157111906

Frequently Asked Questions

What is the IUPAC name of (6R,7S)-6,7-diphenyl-5,8-dioxaspiro[2.6]nonane-4,9-dione?
The IUPAC name of (6R,7S)-6,7-diphenyl-5,8-dioxaspiro[2.6]nonane-4,9-dione (CID 139042269) is (6R,7S)-6,7-diphenyl-5,8-dioxaspiro[2.6]nonane-4,9-dione.
What is the SMILES notation for (6R,7S)-6,7-diphenyl-5,8-dioxaspiro[2.6]nonane-4,9-dione?
The canonical SMILES for (6R,7S)-6,7-diphenyl-5,8-dioxaspiro[2.6]nonane-4,9-dione is O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)OC(=O)C12CC2.
What is the InChIKey of (6R,7S)-6,7-diphenyl-5,8-dioxaspiro[2.6]nonane-4,9-dione?
The InChIKey is PYQRZULZHXGKHP-IYBDPMFKSA-N. The full InChI is InChI=1S/C19H16O4/c20-17-19(11-12-19)18(21)23-16(14-9-5-2-6-10-14)15(22-17)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-,16+.
What are the key properties of (6R,7S)-6,7-diphenyl-5,8-dioxaspiro[2.6]nonane-4,9-dione?
(6R,7S)-6,7-diphenyl-5,8-dioxaspiro[2.6]nonane-4,9-dione has a molecular weight of 308.33 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S)-6,7-diphenyl-5,8-dioxaspiro[2.6]nonane-4,9-dione is sourced from PubChem (CID 139042269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).