3-methyl-4-(2,9,9-trimethylfluoren-3-yl)butan-2-one

C21H24O — CID 71113171

IUPAC3-methyl-4-(2,9,9-trimethylfluoren-3-yl)butan-2-one
SMILESCC(=O)C(C)Cc1cc2c(cc1C)C(C)(C)c1ccccc1-2
InChIInChI=1S/C21H24O/c1-13(15(3)22)10-16-12-18-17-8-6-7-9-19(17)21(4,5)20(18)11-14(16)2/h6-9,11-13H,10H2,1-5H3
InChIKeyCABAQFXMWDOUMC-UHFFFAOYSA-N
MW292.42 g/mol
LogP5.07
Rot. Bonds3

About 3-methyl-4-(2,9,9-trimethylfluoren-3-yl)butan-2-one

3-methyl-4-(2,9,9-trimethylfluoren-3-yl)butan-2-one (PubChem CID 71113171) has the molecular formula C21H24O and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-methyl-4-(2,9,9-trimethylfluoren-3-yl)butan-2-one.

Molecular Properties

Compound Name3-methyl-4-(2,9,9-trimethylfluoren-3-yl)butan-2-one
PubChem CID71113171
Molecular FormulaC21H24O
Molecular Weight292.42 g/mol
Exact Mass292.18
IUPAC Name3-methyl-4-(2,9,9-trimethylfluoren-3-yl)butan-2-one
SMILESCC(=O)C(C)Cc1cc2c(cc1C)C(C)(C)c1ccccc1-2
InChIInChI=1S/C21H24O/c1-13(15(3)22)10-16-12-18-17-8-6-7-9-19(17)21(4,5)20(18)11-14(16)2/h6-9,11-13H,10H2,1-5H3
InChIKeyCABAQFXMWDOUMC-UHFFFAOYSA-N
XLogP5.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.42
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-ethylphenyl)-2,9,9-trimethylfluorene
CID 148907412
bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone
CID 58922078
4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutanoic acid
CID 171878709
N-[4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutyl]acetamide
CID 171884083
9,9-dimethylfluoren-2-amine;sulfane
CID 142283327
10,10-dimethyl-14,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 145441815
9,9-dimethyl-2-(2-methylphenyl)fluorene
CID 58389997
3-(9,9-dimethylfluoren-2-yl)prop-2-enoic acid
CID 169461084
3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782429
4-(9,9-dimethylfluoren-2-yl)but-3-enamide
CID 170798912
ethane;methane;2,9,9-trimethylfluorene
CID 144920604
3-bromo-1-(9,9-dimethylfluoren-2-yl)propane-1,2-diol
CID 171861016

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2,9,9-trimethylfluoren-3-yl)butan-2-one?
The IUPAC name of 3-methyl-4-(2,9,9-trimethylfluoren-3-yl)butan-2-one (CID 71113171) is 3-methyl-4-(2,9,9-trimethylfluoren-3-yl)butan-2-one.
What is the SMILES notation for 3-methyl-4-(2,9,9-trimethylfluoren-3-yl)butan-2-one?
The canonical SMILES for 3-methyl-4-(2,9,9-trimethylfluoren-3-yl)butan-2-one is CC(=O)C(C)Cc1cc2c(cc1C)C(C)(C)c1ccccc1-2.
What is the InChIKey of 3-methyl-4-(2,9,9-trimethylfluoren-3-yl)butan-2-one?
The InChIKey is CABAQFXMWDOUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O/c1-13(15(3)22)10-16-12-18-17-8-6-7-9-19(17)21(4,5)20(18)11-14(16)2/h6-9,11-13H,10H2,1-5H3.
What are the key properties of 3-methyl-4-(2,9,9-trimethylfluoren-3-yl)butan-2-one?
3-methyl-4-(2,9,9-trimethylfluoren-3-yl)butan-2-one has a molecular weight of 292.42 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2,9,9-trimethylfluoren-3-yl)butan-2-one is sourced from PubChem (CID 71113171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).