dimethyl spiro[1,3-dioxolane-2,9'-fluorene]-4,5-dicarboxylate

C19H16O6 — CID 3242032

IUPACdimethyl spiro[1,3-dioxolane-2,9'-fluorene]-4,5-dicarboxylate
SMILESCOC(=O)C1OC2(OC1C(=O)OC)c1ccccc1-c1ccccc12
InChIInChI=1S/C19H16O6/c1-22-17(20)15-16(18(21)23-2)25-19(24-15)13-9-5-3-7-11(13)12-8-4-6-10-14(12)19/h3-10,15-16H,1-2H3
InChIKeyZMWYEJCWZYKYJY-UHFFFAOYSA-N
MW340.33 g/mol
LogP2.00
Rot. Bonds2

About dimethyl spiro[1,3-dioxolane-2,9'-fluorene]-4,5-dicarboxylate

dimethyl spiro[1,3-dioxolane-2,9'-fluorene]-4,5-dicarboxylate (PubChem CID 3242032) has the molecular formula C19H16O6 and a molecular weight of 340.33 g/mol. Its IUPAC name is dimethyl spiro[1,3-dioxolane-2,9'-fluorene]-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl spiro[1,3-dioxolane-2,9'-fluorene]-4,5-dicarboxylate
PubChem CID3242032
Molecular FormulaC19H16O6
Molecular Weight340.33 g/mol
Exact Mass340.09
IUPAC Namedimethyl spiro[1,3-dioxolane-2,9'-fluorene]-4,5-dicarboxylate
SMILESCOC(=O)C1OC2(OC1C(=O)OC)c1ccccc1-c1ccccc12
InChIInChI=1S/C19H16O6/c1-22-17(20)15-16(18(21)23-2)25-19(24-15)13-9-5-3-7-11(13)12-8-4-6-10-14(12)19/h3-10,15-16H,1-2H3
InChIKeyZMWYEJCWZYKYJY-UHFFFAOYSA-N
XLogP2.00
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl spiro[1,3-dioxolane-2,9'-fluorene]-4,5-dicarboxylate?
The IUPAC name of dimethyl spiro[1,3-dioxolane-2,9'-fluorene]-4,5-dicarboxylate (CID 3242032) is dimethyl spiro[1,3-dioxolane-2,9'-fluorene]-4,5-dicarboxylate.
What is the SMILES notation for dimethyl spiro[1,3-dioxolane-2,9'-fluorene]-4,5-dicarboxylate?
The canonical SMILES for dimethyl spiro[1,3-dioxolane-2,9'-fluorene]-4,5-dicarboxylate is COC(=O)C1OC2(OC1C(=O)OC)c1ccccc1-c1ccccc12.
What is the InChIKey of dimethyl spiro[1,3-dioxolane-2,9'-fluorene]-4,5-dicarboxylate?
The InChIKey is ZMWYEJCWZYKYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O6/c1-22-17(20)15-16(18(21)23-2)25-19(24-15)13-9-5-3-7-11(13)12-8-4-6-10-14(12)19/h3-10,15-16H,1-2H3.
What are the key properties of dimethyl spiro[1,3-dioxolane-2,9'-fluorene]-4,5-dicarboxylate?
dimethyl spiro[1,3-dioxolane-2,9'-fluorene]-4,5-dicarboxylate has a molecular weight of 340.33 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl spiro[1,3-dioxolane-2,9'-fluorene]-4,5-dicarboxylate is sourced from PubChem (CID 3242032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).