6,6-dimethyl-1-(9-methylfluoren-9-yl)heptane-3,5-dione

C23H26O2 — CID 102284011

IUPAC6,6-dimethyl-1-(9-methylfluoren-9-yl)heptane-3,5-dione
SMILESCC(C)(C)C(=O)CC(=O)CCC1(C)c2ccccc2-c2ccccc21
InChIInChI=1S/C23H26O2/c1-22(2,3)21(25)15-16(24)13-14-23(4)19-11-7-5-9-17(19)18-10-6-8-12-20(18)23/h5-12H,13-15H2,1-4H3
InChIKeyLLPFBQBTLFGYAM-UHFFFAOYSA-N
MW334.46 g/mol
LogP5.33
Rot. Bonds5

About 6,6-dimethyl-1-(9-methylfluoren-9-yl)heptane-3,5-dione

6,6-dimethyl-1-(9-methylfluoren-9-yl)heptane-3,5-dione (PubChem CID 102284011) has the molecular formula C23H26O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 6,6-dimethyl-1-(9-methylfluoren-9-yl)heptane-3,5-dione.

Molecular Properties

Compound Name6,6-dimethyl-1-(9-methylfluoren-9-yl)heptane-3,5-dione
PubChem CID102284011
Molecular FormulaC23H26O2
Molecular Weight334.46 g/mol
Exact Mass334.19
IUPAC Name6,6-dimethyl-1-(9-methylfluoren-9-yl)heptane-3,5-dione
SMILESCC(C)(C)C(=O)CC(=O)CCC1(C)c2ccccc2-c2ccccc21
InChIInChI=1S/C23H26O2/c1-22(2,3)21(25)15-16(24)13-14-23(4)19-11-7-5-9-17(19)18-10-6-8-12-20(18)23/h5-12H,13-15H2,1-4H3
InChIKeyLLPFBQBTLFGYAM-UHFFFAOYSA-N
XLogP5.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.33
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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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(9-methylfluoren-9-yl)heptane-3,5-dione?
The IUPAC name of 6,6-dimethyl-1-(9-methylfluoren-9-yl)heptane-3,5-dione (CID 102284011) is 6,6-dimethyl-1-(9-methylfluoren-9-yl)heptane-3,5-dione.
What is the SMILES notation for 6,6-dimethyl-1-(9-methylfluoren-9-yl)heptane-3,5-dione?
The canonical SMILES for 6,6-dimethyl-1-(9-methylfluoren-9-yl)heptane-3,5-dione is CC(C)(C)C(=O)CC(=O)CCC1(C)c2ccccc2-c2ccccc21.
What is the InChIKey of 6,6-dimethyl-1-(9-methylfluoren-9-yl)heptane-3,5-dione?
The InChIKey is LLPFBQBTLFGYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O2/c1-22(2,3)21(25)15-16(24)13-14-23(4)19-11-7-5-9-17(19)18-10-6-8-12-20(18)23/h5-12H,13-15H2,1-4H3.
What are the key properties of 6,6-dimethyl-1-(9-methylfluoren-9-yl)heptane-3,5-dione?
6,6-dimethyl-1-(9-methylfluoren-9-yl)heptane-3,5-dione has a molecular weight of 334.46 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(9-methylfluoren-9-yl)heptane-3,5-dione is sourced from PubChem (CID 102284011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).