3-phenylspiro[4.5]dec-2-ene-4,10-dione

C16H16O2 — CID 15316661

IUPAC3-phenylspiro[4.5]dec-2-ene-4,10-dione
SMILESO=C1CCCCC12CC=C(c1ccccc1)C2=O
InChIInChI=1S/C16H16O2/c17-14-8-4-5-10-16(14)11-9-13(15(16)18)12-6-2-1-3-7-12/h1-3,6-7,9H,4-5,8,10-11H2
InChIKeyMVGKSPQOMXBMNM-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.17
Rot. Bonds1

About 3-phenylspiro[4.5]dec-2-ene-4,10-dione

3-phenylspiro[4.5]dec-2-ene-4,10-dione (PubChem CID 15316661) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-phenylspiro[4.5]dec-2-ene-4,10-dione.

Molecular Properties

Compound Name3-phenylspiro[4.5]dec-2-ene-4,10-dione
PubChem CID15316661
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name3-phenylspiro[4.5]dec-2-ene-4,10-dione
SMILESO=C1CCCCC12CC=C(c1ccccc1)C2=O
InChIInChI=1S/C16H16O2/c17-14-8-4-5-10-16(14)11-9-13(15(16)18)12-6-2-1-3-7-12/h1-3,6-7,9H,4-5,8,10-11H2
InChIKeyMVGKSPQOMXBMNM-UHFFFAOYSA-N
XLogP3.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenylsulfanylspiro[4.7]dodec-2-ene-4,12-dione
CID 10979514
spiro[5.6]dodecane-5,12-dione
CID 534624
2-(bromomethyl)-2-phenylcyclotridecan-1-one
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2-bromo-2-[bromo(phenyl)methyl]cyclohexan-1-one
CID 15252359
3-(benzenesulfinyl)spiro[4.5]decane-4,10-dione
CID 11130039
2,2-bis(phenylsulfanyl)cyclohexan-1-one
CID 15577924
(2R,5S)-2-[[tert-butyl(diphenyl)silyl]methyl]-4-phenylspiro[4.5]dec-3-en-10-one
CID 11751954
2-(benzenesulfonyl)-2-chlorocycloheptan-1-one
CID 134890252
2-(1-bromoethenyl)-2-phenylcyclohexan-1-one
CID 102390499
(2R)-2-(methylamino)-2-phenylcyclohexan-1-one
CID 94478337
2-phenylspiro[2.5]octan-8-one
CID 14952236
1,1'-biphenyl;cyclooctanone
CID 90108767

Frequently Asked Questions

What is the IUPAC name of 3-phenylspiro[4.5]dec-2-ene-4,10-dione?
The IUPAC name of 3-phenylspiro[4.5]dec-2-ene-4,10-dione (CID 15316661) is 3-phenylspiro[4.5]dec-2-ene-4,10-dione.
What is the SMILES notation for 3-phenylspiro[4.5]dec-2-ene-4,10-dione?
The canonical SMILES for 3-phenylspiro[4.5]dec-2-ene-4,10-dione is O=C1CCCCC12CC=C(c1ccccc1)C2=O.
What is the InChIKey of 3-phenylspiro[4.5]dec-2-ene-4,10-dione?
The InChIKey is MVGKSPQOMXBMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c17-14-8-4-5-10-16(14)11-9-13(15(16)18)12-6-2-1-3-7-12/h1-3,6-7,9H,4-5,8,10-11H2.
What are the key properties of 3-phenylspiro[4.5]dec-2-ene-4,10-dione?
3-phenylspiro[4.5]dec-2-ene-4,10-dione has a molecular weight of 240.30 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylspiro[4.5]dec-2-ene-4,10-dione is sourced from PubChem (CID 15316661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).