(1R,6S)-1,3,4,6-tetramethyl-7,7-diphenylbicyclo[4.2.0]oct-3-ene-2,5-dione

C24H24O2 — CID 101414822

IUPAC(1R,6S)-1,3,4,6-tetramethyl-7,7-diphenylbicyclo[4.2.0]oct-3-ene-2,5-dione
SMILESCC1=C(C)C(=O)[C@@]2(C)C(c3ccccc3)(c3ccccc3)C[C@@]2(C)C1=O
InChIInChI=1S/C24H24O2/c1-16-17(2)21(26)23(4)22(3,20(16)25)15-24(23,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14H,15H2,1-4H3/t22-,23+/m0/s1
InChIKeyZZPDJXXCEQLLQM-XZOQPEGZSA-N
MW344.45 g/mol
LogP4.88
Rot. Bonds2

About (1R,6S)-1,3,4,6-tetramethyl-7,7-diphenylbicyclo[4.2.0]oct-3-ene-2,5-dione

(1R,6S)-1,3,4,6-tetramethyl-7,7-diphenylbicyclo[4.2.0]oct-3-ene-2,5-dione (PubChem CID 101414822) has the molecular formula C24H24O2 and a molecular weight of 344.45 g/mol. Its IUPAC name is (1R,6S)-1,3,4,6-tetramethyl-7,7-diphenylbicyclo[4.2.0]oct-3-ene-2,5-dione.

Molecular Properties

Compound Name(1R,6S)-1,3,4,6-tetramethyl-7,7-diphenylbicyclo[4.2.0]oct-3-ene-2,5-dione
PubChem CID101414822
Molecular FormulaC24H24O2
Molecular Weight344.45 g/mol
Exact Mass344.18
IUPAC Name(1R,6S)-1,3,4,6-tetramethyl-7,7-diphenylbicyclo[4.2.0]oct-3-ene-2,5-dione
SMILESCC1=C(C)C(=O)[C@@]2(C)C(c3ccccc3)(c3ccccc3)C[C@@]2(C)C1=O
InChIInChI=1S/C24H24O2/c1-16-17(2)21(26)23(4)22(3,20(16)25)15-24(23,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14H,15H2,1-4H3/t22-,23+/m0/s1
InChIKeyZZPDJXXCEQLLQM-XZOQPEGZSA-N
XLogP4.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,6S)-1,3,4,6-tetramethyl-7,7-diphenylbicyclo[4.2.0]oct-3-ene-2,5-dione with MolForge

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Related Compounds

(1-methyl-2,2-diphenylcyclopropyl)benzene
CID 14338185
2,3,4,5,6-pentamethyl-6-phenylcyclohexa-2,4-dien-1-one
CID 23266763
(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661
2,3,4,5-tetramethyl-6,6-diphenylcyclohexa-2,4-dien-1-one
CID 627423
3,3,5,5-tetraphenylcyclopentane-1,2-dione
CID 141043374
(1R)-1-methyl-2,2-diphenylcyclopropane-1-carboxamide
CID 86339419
1-methyl-3,5,7-triphenyladamantane
CID 20728636
(1R,6R)-1-methyl-3-(4-methylphenyl)sulfonyl-6-phenyl-3-azabicyclo[4.1.0]heptane-4,5-dione
CID 122233237
(1S,2R,6R,7S)-1,2,4,7-tetramethyl-5,6,8,9-tetraphenyltricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione
CID 124923868
(1S,2S,6S,7S)-1,2,4,7-tetramethyl-5,6,8,9-tetraphenyltricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione
CID 99722323
3-methyl-3-phenyl-1H-inden-2-one
CID 66651875
[(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol
CID 162276045

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-1,3,4,6-tetramethyl-7,7-diphenylbicyclo[4.2.0]oct-3-ene-2,5-dione?
The IUPAC name of (1R,6S)-1,3,4,6-tetramethyl-7,7-diphenylbicyclo[4.2.0]oct-3-ene-2,5-dione (CID 101414822) is (1R,6S)-1,3,4,6-tetramethyl-7,7-diphenylbicyclo[4.2.0]oct-3-ene-2,5-dione.
What is the SMILES notation for (1R,6S)-1,3,4,6-tetramethyl-7,7-diphenylbicyclo[4.2.0]oct-3-ene-2,5-dione?
The canonical SMILES for (1R,6S)-1,3,4,6-tetramethyl-7,7-diphenylbicyclo[4.2.0]oct-3-ene-2,5-dione is CC1=C(C)C(=O)[C@@]2(C)C(c3ccccc3)(c3ccccc3)C[C@@]2(C)C1=O.
What is the InChIKey of (1R,6S)-1,3,4,6-tetramethyl-7,7-diphenylbicyclo[4.2.0]oct-3-ene-2,5-dione?
The InChIKey is ZZPDJXXCEQLLQM-XZOQPEGZSA-N. The full InChI is InChI=1S/C24H24O2/c1-16-17(2)21(26)23(4)22(3,20(16)25)15-24(23,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14H,15H2,1-4H3/t22-,23+/m0/s1.
What are the key properties of (1R,6S)-1,3,4,6-tetramethyl-7,7-diphenylbicyclo[4.2.0]oct-3-ene-2,5-dione?
(1R,6S)-1,3,4,6-tetramethyl-7,7-diphenylbicyclo[4.2.0]oct-3-ene-2,5-dione has a molecular weight of 344.45 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-1,3,4,6-tetramethyl-7,7-diphenylbicyclo[4.2.0]oct-3-ene-2,5-dione is sourced from PubChem (CID 101414822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).