[9-(2-methylpropanoyloxymethyl)fluoren-9-yl]methyl 2-methylpropanoate

C23H26O4 — CID 126613610

IUPAC[9-(2-methylpropanoyloxymethyl)fluoren-9-yl]methyl 2-methylpropanoate
SMILESCC(C)C(=O)OCC1(COC(=O)C(C)C)c2ccccc2-c2ccccc21
InChIInChI=1S/C23H26O4/c1-15(2)21(24)26-13-23(14-27-22(25)16(3)4)19-11-7-5-9-17(19)18-10-6-8-12-20(18)23/h5-12,15-16H,13-14H2,1-4H3
InChIKeyMIPZBZVWYBATQN-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.35
Rot. Bonds6

About [9-(2-methylpropanoyloxymethyl)fluoren-9-yl]methyl 2-methylpropanoate

[9-(2-methylpropanoyloxymethyl)fluoren-9-yl]methyl 2-methylpropanoate (PubChem CID 126613610) has the molecular formula C23H26O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is [9-(2-methylpropanoyloxymethyl)fluoren-9-yl]methyl 2-methylpropanoate.

Molecular Properties

Compound Name[9-(2-methylpropanoyloxymethyl)fluoren-9-yl]methyl 2-methylpropanoate
PubChem CID126613610
Molecular FormulaC23H26O4
Molecular Weight366.46 g/mol
Exact Mass366.18
IUPAC Name[9-(2-methylpropanoyloxymethyl)fluoren-9-yl]methyl 2-methylpropanoate
SMILESCC(C)C(=O)OCC1(COC(=O)C(C)C)c2ccccc2-c2ccccc21
InChIInChI=1S/C23H26O4/c1-15(2)21(24)26-13-23(14-27-22(25)16(3)4)19-11-7-5-9-17(19)18-10-6-8-12-20(18)23/h5-12,15-16H,13-14H2,1-4H3
InChIKeyMIPZBZVWYBATQN-UHFFFAOYSA-N
XLogP4.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [9-(2-methylpropanoyloxymethyl)fluoren-9-yl]methyl 2-methylpropanoate?
The IUPAC name of [9-(2-methylpropanoyloxymethyl)fluoren-9-yl]methyl 2-methylpropanoate (CID 126613610) is [9-(2-methylpropanoyloxymethyl)fluoren-9-yl]methyl 2-methylpropanoate.
What is the SMILES notation for [9-(2-methylpropanoyloxymethyl)fluoren-9-yl]methyl 2-methylpropanoate?
The canonical SMILES for [9-(2-methylpropanoyloxymethyl)fluoren-9-yl]methyl 2-methylpropanoate is CC(C)C(=O)OCC1(COC(=O)C(C)C)c2ccccc2-c2ccccc21.
What is the InChIKey of [9-(2-methylpropanoyloxymethyl)fluoren-9-yl]methyl 2-methylpropanoate?
The InChIKey is MIPZBZVWYBATQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O4/c1-15(2)21(24)26-13-23(14-27-22(25)16(3)4)19-11-7-5-9-17(19)18-10-6-8-12-20(18)23/h5-12,15-16H,13-14H2,1-4H3.
What are the key properties of [9-(2-methylpropanoyloxymethyl)fluoren-9-yl]methyl 2-methylpropanoate?
[9-(2-methylpropanoyloxymethyl)fluoren-9-yl]methyl 2-methylpropanoate has a molecular weight of 366.46 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(2-methylpropanoyloxymethyl)fluoren-9-yl]methyl 2-methylpropanoate is sourced from PubChem (CID 126613610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).