2-(9H-fluoren-2-yl)butan-2-yl 2,2-dimethylbutanoate

C23H28O2 — CID 59330966

IUPAC2-(9H-fluoren-2-yl)butan-2-yl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)(CC)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C23H28O2/c1-6-22(3,4)21(24)25-23(5,7-2)18-12-13-20-17(15-18)14-16-10-8-9-11-19(16)20/h8-13,15H,6-7,14H2,1-5H3
InChIKeyXSPWENNRRQSLCE-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.86
Rot. Bonds5

About 2-(9H-fluoren-2-yl)butan-2-yl 2,2-dimethylbutanoate

2-(9H-fluoren-2-yl)butan-2-yl 2,2-dimethylbutanoate (PubChem CID 59330966) has the molecular formula C23H28O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-(9H-fluoren-2-yl)butan-2-yl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-(9H-fluoren-2-yl)butan-2-yl 2,2-dimethylbutanoate
PubChem CID59330966
Molecular FormulaC23H28O2
Molecular Weight336.48 g/mol
Exact Mass336.21
IUPAC Name2-(9H-fluoren-2-yl)butan-2-yl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)(CC)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C23H28O2/c1-6-22(3,4)21(24)25-23(5,7-2)18-12-13-20-17(15-18)14-16-10-8-9-11-19(16)20/h8-13,15H,6-7,14H2,1-5H3
InChIKeyXSPWENNRRQSLCE-UHFFFAOYSA-N
XLogP5.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-2-yl)butan-2-yl 2,2-dimethylbutanoate?
The IUPAC name of 2-(9H-fluoren-2-yl)butan-2-yl 2,2-dimethylbutanoate (CID 59330966) is 2-(9H-fluoren-2-yl)butan-2-yl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-(9H-fluoren-2-yl)butan-2-yl 2,2-dimethylbutanoate?
The canonical SMILES for 2-(9H-fluoren-2-yl)butan-2-yl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C)(CC)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2-(9H-fluoren-2-yl)butan-2-yl 2,2-dimethylbutanoate?
The InChIKey is XSPWENNRRQSLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O2/c1-6-22(3,4)21(24)25-23(5,7-2)18-12-13-20-17(15-18)14-16-10-8-9-11-19(16)20/h8-13,15H,6-7,14H2,1-5H3.
What are the key properties of 2-(9H-fluoren-2-yl)butan-2-yl 2,2-dimethylbutanoate?
2-(9H-fluoren-2-yl)butan-2-yl 2,2-dimethylbutanoate has a molecular weight of 336.48 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-2-yl)butan-2-yl 2,2-dimethylbutanoate is sourced from PubChem (CID 59330966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).