2,3-diphenylcyclododecane-1,4-dione

C24H28O2 — CID 101032541

IUPAC2,3-diphenylcyclododecane-1,4-dione
SMILESO=C1CCCCCCCCC(=O)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C24H28O2/c25-21-17-11-3-1-2-4-12-18-22(26)24(20-15-9-6-10-16-20)23(21)19-13-7-5-8-14-19/h5-10,13-16,23-24H,1-4,11-12,17-18H2
InChIKeyXNHUSALNNSTSPZ-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.83
Rot. Bonds2

About 2,3-diphenylcyclododecane-1,4-dione

2,3-diphenylcyclododecane-1,4-dione (PubChem CID 101032541) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2,3-diphenylcyclododecane-1,4-dione.

Molecular Properties

Compound Name2,3-diphenylcyclododecane-1,4-dione
PubChem CID101032541
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name2,3-diphenylcyclododecane-1,4-dione
SMILESO=C1CCCCCCCCC(=O)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C24H28O2/c25-21-17-11-3-1-2-4-12-18-22(26)24(20-15-9-6-10-16-20)23(21)19-13-7-5-8-14-19/h5-10,13-16,23-24H,1-4,11-12,17-18H2
InChIKeyXNHUSALNNSTSPZ-UHFFFAOYSA-N
XLogP5.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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trans-(9R,11R)-9-hydroxy-11-phenyl-oxacycloundecane-2,8-dione
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3-hex-1-ynyl-2-phenylcyclohexan-1-one
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4-phenyl-2-sulfanylidene-3,4,4a,6,7,8-hexahydroquinazolin-5-one
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cis-(2S,3S)-3-tert-butyl-2-phenylcyclobutan-1-one
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1-phenyl-1,2,4,5,6,7,8,9-octahydrocyclopenta[8]annulen-3-one
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methyl 2-nitro-2-(3-oxo-2-phenylcyclohexyl)acetate
CID 44721187
(3R,3aS,8aS)-3-phenyl-2,3,3a,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-4-one
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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenylcyclododecane-1,4-dione?
The IUPAC name of 2,3-diphenylcyclododecane-1,4-dione (CID 101032541) is 2,3-diphenylcyclododecane-1,4-dione.
What is the SMILES notation for 2,3-diphenylcyclododecane-1,4-dione?
The canonical SMILES for 2,3-diphenylcyclododecane-1,4-dione is O=C1CCCCCCCCC(=O)C(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 2,3-diphenylcyclododecane-1,4-dione?
The InChIKey is XNHUSALNNSTSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O2/c25-21-17-11-3-1-2-4-12-18-22(26)24(20-15-9-6-10-16-20)23(21)19-13-7-5-8-14-19/h5-10,13-16,23-24H,1-4,11-12,17-18H2.
What are the key properties of 2,3-diphenylcyclododecane-1,4-dione?
2,3-diphenylcyclododecane-1,4-dione has a molecular weight of 348.49 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenylcyclododecane-1,4-dione is sourced from PubChem (CID 101032541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).