bis(oxolan-2-yl) 9-oxofluorene-2,7-dicarboxylate

C23H20O7 — CID 144860107

IUPACbis(oxolan-2-yl) 9-oxofluorene-2,7-dicarboxylate
SMILESO=C(OC1CCCO1)c1ccc2c(c1)C(=O)c1cc(C(=O)OC3CCCO3)ccc1-2
InChIInChI=1S/C23H20O7/c24-21-17-11-13(22(25)29-19-3-1-9-27-19)5-7-15(17)16-8-6-14(12-18(16)21)23(26)30-20-4-2-10-28-20/h5-8,11-12,19-20H,1-4,9-10H2
InChIKeyVQDCZVDWNCQQDI-UHFFFAOYSA-N
MW408.41 g/mol
LogP3.48
Rot. Bonds4

About bis(oxolan-2-yl) 9-oxofluorene-2,7-dicarboxylate

bis(oxolan-2-yl) 9-oxofluorene-2,7-dicarboxylate (PubChem CID 144860107) has the molecular formula C23H20O7 and a molecular weight of 408.41 g/mol. Its IUPAC name is bis(oxolan-2-yl) 9-oxofluorene-2,7-dicarboxylate.

Molecular Properties

Compound Namebis(oxolan-2-yl) 9-oxofluorene-2,7-dicarboxylate
PubChem CID144860107
Molecular FormulaC23H20O7
Molecular Weight408.41 g/mol
Exact Mass408.12
IUPAC Namebis(oxolan-2-yl) 9-oxofluorene-2,7-dicarboxylate
SMILESO=C(OC1CCCO1)c1ccc2c(c1)C(=O)c1cc(C(=O)OC3CCCO3)ccc1-2
InChIInChI=1S/C23H20O7/c24-21-17-11-13(22(25)29-19-3-1-9-27-19)5-7-15(17)16-8-6-14(12-18(16)21)23(26)30-20-4-2-10-28-20/h5-8,11-12,19-20H,1-4,9-10H2
InChIKeyVQDCZVDWNCQQDI-UHFFFAOYSA-N
XLogP3.48
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

tris(oxan-2-yl) benzene-1,3,5-tricarboxylate
CID 139603181
oxan-2-yl 3-methylbenzoate
CID 139991124
oxan-2-yl 4-bromo-2-fluorobenzoate
CID 138115268
dibenzoyl 9-oxofluorene-2,7-dicarboxylate
CID 118088324
[2-(1,3-dioxo-2-benzofuran-5-carbonyl)oxycyclobutyl] 1,3-dioxo-2-benzofuran-5-carboxylate
CID 87175126
[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxycyclohexyl] 1,3-dioxo-2-benzofuran-5-carboxylate
CID 144631712
9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide
CID 42559548
oxan-2-yl 2-[4-(hydroxymethyl)phenyl]benzoate
CID 21464246
cyclopentyl 9,10,10-trioxothioxanthene-3-carboxylate
CID 17469972
bis(oxolan-2-yl) (E)-but-2-enedioate
CID 70212564
4-(oxan-2-yloxy)benzoic acid
CID 11183645
[4-[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxycyclohexyl]cyclohexyl] 1,3-dioxo-2-benzofuran-5-carboxylate
CID 178030655

Frequently Asked Questions

What is the IUPAC name of bis(oxolan-2-yl) 9-oxofluorene-2,7-dicarboxylate?
The IUPAC name of bis(oxolan-2-yl) 9-oxofluorene-2,7-dicarboxylate (CID 144860107) is bis(oxolan-2-yl) 9-oxofluorene-2,7-dicarboxylate.
What is the SMILES notation for bis(oxolan-2-yl) 9-oxofluorene-2,7-dicarboxylate?
The canonical SMILES for bis(oxolan-2-yl) 9-oxofluorene-2,7-dicarboxylate is O=C(OC1CCCO1)c1ccc2c(c1)C(=O)c1cc(C(=O)OC3CCCO3)ccc1-2.
What is the InChIKey of bis(oxolan-2-yl) 9-oxofluorene-2,7-dicarboxylate?
The InChIKey is VQDCZVDWNCQQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O7/c24-21-17-11-13(22(25)29-19-3-1-9-27-19)5-7-15(17)16-8-6-14(12-18(16)21)23(26)30-20-4-2-10-28-20/h5-8,11-12,19-20H,1-4,9-10H2.
What are the key properties of bis(oxolan-2-yl) 9-oxofluorene-2,7-dicarboxylate?
bis(oxolan-2-yl) 9-oxofluorene-2,7-dicarboxylate has a molecular weight of 408.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(oxolan-2-yl) 9-oxofluorene-2,7-dicarboxylate is sourced from PubChem (CID 144860107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).