(16R)-16-phenyl-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione

C21H26O3 — CID 880512

IUPAC(16R)-16-phenyl-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione
SMILESO=C1O[C@H](c2ccccc2)C2(CCCCC2)C(=O)C12CCCCC2
InChIInChI=1S/C21H26O3/c22-18-20(12-6-2-7-13-20)17(16-10-4-1-5-11-16)24-19(23)21(18)14-8-3-9-15-21/h1,4-5,10-11,17H,2-3,6-9,12-15H2/t17-/m1/s1
InChIKeyNYAMEJNMRAEZKM-QGZVFWFLSA-N
MW326.44 g/mol
LogP4.75
Rot. Bonds1

About (16R)-16-phenyl-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione

(16R)-16-phenyl-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione (PubChem CID 880512) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is (16R)-16-phenyl-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione.

Molecular Properties

Compound Name(16R)-16-phenyl-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione
PubChem CID880512
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Name(16R)-16-phenyl-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione
SMILESO=C1O[C@H](c2ccccc2)C2(CCCCC2)C(=O)C12CCCCC2
InChIInChI=1S/C21H26O3/c22-18-20(12-6-2-7-13-20)17(16-10-4-1-5-11-16)24-19(23)21(18)14-8-3-9-15-21/h1,4-5,10-11,17H,2-3,6-9,12-15H2/t17-/m1/s1
InChIKeyNYAMEJNMRAEZKM-QGZVFWFLSA-N
XLogP4.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
(16R)-16-(4-fluorophenyl)-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione
CID 705079
16-(4-fluorophenyl)-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione
CID 573696
(1S)-4,4-dimethyl-1-phenyl-2-oxaspiro[5.5]undecane-3,5-dione
CID 706721
(6R,7S)-6,7-diphenyl-5,8-dioxaspiro[2.6]nonane-4,9-dione
CID 139042269
3-(4-fluorophenyl)-4,4-dimethyl-2-oxaspiro[5.5]undecane-1,5-dione
CID 573487
(3R)-3-(2-fluorophenyl)-4,4-dimethyl-2-oxaspiro[5.5]undecane-1,5-dione
CID 706112
4-ethyl-3-phenyl-2-oxaspiro[5.5]undecane-1,5-dione
CID 2905137
(8R)-8-(furan-2-yl)-9,9-dimethyl-7-oxaspiro[4.5]decane-6,10-dione
CID 974943
3,3-dichloro-4-phenyloxetan-2-one
CID 12622625
2-(3-oxo-1-phenyl-2-azaspiro[3.5]nonan-2-yl)-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 4267359
(1S,4S)-4-hydroxy-1-phenyl-2-oxaspiro[4.4]nonan-3-one
CID 101214627

Frequently Asked Questions

What is the IUPAC name of (16R)-16-phenyl-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione?
The IUPAC name of (16R)-16-phenyl-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione (CID 880512) is (16R)-16-phenyl-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione.
What is the SMILES notation for (16R)-16-phenyl-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione?
The canonical SMILES for (16R)-16-phenyl-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione is O=C1O[C@H](c2ccccc2)C2(CCCCC2)C(=O)C12CCCCC2.
What is the InChIKey of (16R)-16-phenyl-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione?
The InChIKey is NYAMEJNMRAEZKM-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26O3/c22-18-20(12-6-2-7-13-20)17(16-10-4-1-5-11-16)24-19(23)21(18)14-8-3-9-15-21/h1,4-5,10-11,17H,2-3,6-9,12-15H2/t17-/m1/s1.
What are the key properties of (16R)-16-phenyl-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione?
(16R)-16-phenyl-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione has a molecular weight of 326.44 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (16R)-16-phenyl-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione is sourced from PubChem (CID 880512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).