4,4-dimethyl-2,2-diphenylcyclopentane-1,3-dione

C19H18O2 — CID 10636315

IUPAC4,4-dimethyl-2,2-diphenylcyclopentane-1,3-dione
SMILESCC1(C)CC(=O)C(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C19H18O2/c1-18(2)13-16(20)19(17(18)21,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3
InChIKeyBKKYMDHCPHDCSP-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.54
Rot. Bonds2

About 4,4-dimethyl-2,2-diphenylcyclopentane-1,3-dione

4,4-dimethyl-2,2-diphenylcyclopentane-1,3-dione (PubChem CID 10636315) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4,4-dimethyl-2,2-diphenylcyclopentane-1,3-dione.

Molecular Properties

Compound Name4,4-dimethyl-2,2-diphenylcyclopentane-1,3-dione
PubChem CID10636315
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name4,4-dimethyl-2,2-diphenylcyclopentane-1,3-dione
SMILESCC1(C)CC(=O)C(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C19H18O2/c1-18(2)13-16(20)19(17(18)21,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3
InChIKeyBKKYMDHCPHDCSP-UHFFFAOYSA-N
XLogP3.54
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.54
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

5-methyl-5-phenylcyclohexane-1,3-dione
CID 21286276
2,3,4,5-tetramethyl-6,6-diphenylcyclohexa-2,4-dien-1-one
CID 627423
2,2,5,5-tetramethylcyclohexane-1,4-dione
CID 13390715
2-methyl-2-methylsulfanyl-3,3-diphenylcyclopentan-1-one
CID 86187110
2,3-dimethyl-3-phenylcyclobutan-1-one
CID 131076191
3,3,5,5-tetraphenylcyclopentane-1,2-dione
CID 141043374
4,4-diphenylcyclopentane-1,2-dione
CID 15724710
(5S)-5-methyl-5-phenylpyrrolidine-2,4-dione
CID 91421764
(1R,5R)-1-methyl-5-phenylbicyclo[3.1.0]hexan-3-one
CID 132839315
2,2-diisocyanato-5,5-dimethyl-4,4-diphenylcyclohexane-1,3-dione
CID 19812645
(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661
1-methyl-3,5,7-triphenyladamantane
CID 20728636

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2,2-diphenylcyclopentane-1,3-dione?
The IUPAC name of 4,4-dimethyl-2,2-diphenylcyclopentane-1,3-dione (CID 10636315) is 4,4-dimethyl-2,2-diphenylcyclopentane-1,3-dione.
What is the SMILES notation for 4,4-dimethyl-2,2-diphenylcyclopentane-1,3-dione?
The canonical SMILES for 4,4-dimethyl-2,2-diphenylcyclopentane-1,3-dione is CC1(C)CC(=O)C(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of 4,4-dimethyl-2,2-diphenylcyclopentane-1,3-dione?
The InChIKey is BKKYMDHCPHDCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-18(2)13-16(20)19(17(18)21,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3.
What are the key properties of 4,4-dimethyl-2,2-diphenylcyclopentane-1,3-dione?
4,4-dimethyl-2,2-diphenylcyclopentane-1,3-dione has a molecular weight of 278.35 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2,2-diphenylcyclopentane-1,3-dione is sourced from PubChem (CID 10636315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).