10-phenyl-9-oxadispiro[2.1.25.33]decane-4,8-dione

C15H14O3 — CID 10105781

IUPAC10-phenyl-9-oxadispiro[2.1.25.33]decane-4,8-dione
SMILESO=C1OC(c2ccccc2)C2(CC2)C(=O)C12CC2
InChIInChI=1S/C15H14O3/c16-12-14(6-7-14)11(10-4-2-1-3-5-10)18-13(17)15(12)8-9-15/h1-5,11H,6-9H2
InChIKeyVXYKFHBUNYUWHQ-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.41
Rot. Bonds1

About 10-phenyl-9-oxadispiro[2.1.25.33]decane-4,8-dione

10-phenyl-9-oxadispiro[2.1.25.33]decane-4,8-dione (PubChem CID 10105781) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 10-phenyl-9-oxadispiro[2.1.25.33]decane-4,8-dione.

Molecular Properties

Compound Name10-phenyl-9-oxadispiro[2.1.25.33]decane-4,8-dione
PubChem CID10105781
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name10-phenyl-9-oxadispiro[2.1.25.33]decane-4,8-dione
SMILESO=C1OC(c2ccccc2)C2(CC2)C(=O)C12CC2
InChIInChI=1S/C15H14O3/c16-12-14(6-7-14)11(10-4-2-1-3-5-10)18-13(17)15(12)8-9-15/h1-5,11H,6-9H2
InChIKeyVXYKFHBUNYUWHQ-UHFFFAOYSA-N
XLogP2.41
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.41
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

(16R)-16-phenyl-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione
CID 880512
(6R,7S)-6,7-diphenyl-5,8-dioxaspiro[2.6]nonane-4,9-dione
CID 139042269
(1S)-4,4-dimethyl-1-phenyl-2-oxaspiro[5.5]undecane-3,5-dione
CID 706721
(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
3,3-dichloro-4-phenyloxetan-2-one
CID 12622625
(5S)-3,3,4,4-tetrahydroxy-5-phenyloxolan-2-one
CID 7103134
3,3,4,4-tetrahydroxy-5-phenyloxolan-2-one
CID 11834613
(3S,4R)-3-methoxy-3-methyl-4-phenyloxetan-2-one
CID 10058396
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
(1S,4S)-4-hydroxy-1-phenyl-2-oxaspiro[4.4]nonan-3-one
CID 101214627

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-9-oxadispiro[2.1.25.33]decane-4,8-dione?
The IUPAC name of 10-phenyl-9-oxadispiro[2.1.25.33]decane-4,8-dione (CID 10105781) is 10-phenyl-9-oxadispiro[2.1.25.33]decane-4,8-dione.
What is the SMILES notation for 10-phenyl-9-oxadispiro[2.1.25.33]decane-4,8-dione?
The canonical SMILES for 10-phenyl-9-oxadispiro[2.1.25.33]decane-4,8-dione is O=C1OC(c2ccccc2)C2(CC2)C(=O)C12CC2.
What is the InChIKey of 10-phenyl-9-oxadispiro[2.1.25.33]decane-4,8-dione?
The InChIKey is VXYKFHBUNYUWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c16-12-14(6-7-14)11(10-4-2-1-3-5-10)18-13(17)15(12)8-9-15/h1-5,11H,6-9H2.
What are the key properties of 10-phenyl-9-oxadispiro[2.1.25.33]decane-4,8-dione?
10-phenyl-9-oxadispiro[2.1.25.33]decane-4,8-dione has a molecular weight of 242.27 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-9-oxadispiro[2.1.25.33]decane-4,8-dione is sourced from PubChem (CID 10105781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).