butyl 7-carboxyoxy-9-oxofluorene-2-carboxylate

C19H16O6 — CID 70387792

IUPACbutyl 7-carboxyoxy-9-oxofluorene-2-carboxylate
SMILESCCCCOC(=O)c1ccc2c(c1)C(=O)c1cc(OC(=O)O)ccc1-2
InChIInChI=1S/C19H16O6/c1-2-3-8-24-18(21)11-4-6-13-14-7-5-12(25-19(22)23)10-16(14)17(20)15(13)9-11/h4-7,9-10H,2-3,8H2,1H3,(H,22,23)
InChIKeyVZUHXZNYWJSRSQ-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.91
Rot. Bonds5

About butyl 7-carboxyoxy-9-oxofluorene-2-carboxylate

butyl 7-carboxyoxy-9-oxofluorene-2-carboxylate (PubChem CID 70387792) has the molecular formula C19H16O6 and a molecular weight of 340.33 g/mol. Its IUPAC name is butyl 7-carboxyoxy-9-oxofluorene-2-carboxylate.

Molecular Properties

Compound Namebutyl 7-carboxyoxy-9-oxofluorene-2-carboxylate
PubChem CID70387792
Molecular FormulaC19H16O6
Molecular Weight340.33 g/mol
Exact Mass340.09
IUPAC Namebutyl 7-carboxyoxy-9-oxofluorene-2-carboxylate
SMILESCCCCOC(=O)c1ccc2c(c1)C(=O)c1cc(OC(=O)O)ccc1-2
InChIInChI=1S/C19H16O6/c1-2-3-8-24-18(21)11-4-6-13-14-7-5-12(25-19(22)23)10-16(14)17(20)15(13)9-11/h4-7,9-10H,2-3,8H2,1H3,(H,22,23)
InChIKeyVZUHXZNYWJSRSQ-UHFFFAOYSA-N
XLogP3.91
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

undecyl 9,10-dioxoanthracene-2-carboxylate
CID 86120799
octyl 9,10-dioxoanthracene-2-carboxylate
CID 4522297
hexyl 9,10-dioxoanthracene-2-carboxylate
CID 19860034
bis(dibutyl benzene-1,4-dicarboxylate);hydrogen peroxide
CID 175173285
butyl 1-oxo-2,3-dihydroindene-5-carboxylate
CID 67484921
diethyl 9,10-dioxoanthracene-2,6-dicarboxylate
CID 102008401
butyl 1,3-dioxo-2-phenylisoindole-5-carboxylate
CID 3099106
butyl 4-(4-butoxycarbonylphenoxy)benzoate
CID 139890645
11-aminoundecyl 9,10-dioxoanthracene-2-carboxylate
CID 10047817
(111C)butyl benzoate
CID 11994383
pentadecyl 2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 3675019
butyl 2-naphthalen-2-yl-1,3-dioxoisoindole-5-carboxylate
CID 3099109

Frequently Asked Questions

What is the IUPAC name of butyl 7-carboxyoxy-9-oxofluorene-2-carboxylate?
The IUPAC name of butyl 7-carboxyoxy-9-oxofluorene-2-carboxylate (CID 70387792) is butyl 7-carboxyoxy-9-oxofluorene-2-carboxylate.
What is the SMILES notation for butyl 7-carboxyoxy-9-oxofluorene-2-carboxylate?
The canonical SMILES for butyl 7-carboxyoxy-9-oxofluorene-2-carboxylate is CCCCOC(=O)c1ccc2c(c1)C(=O)c1cc(OC(=O)O)ccc1-2.
What is the InChIKey of butyl 7-carboxyoxy-9-oxofluorene-2-carboxylate?
The InChIKey is VZUHXZNYWJSRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O6/c1-2-3-8-24-18(21)11-4-6-13-14-7-5-12(25-19(22)23)10-16(14)17(20)15(13)9-11/h4-7,9-10H,2-3,8H2,1H3,(H,22,23).
What are the key properties of butyl 7-carboxyoxy-9-oxofluorene-2-carboxylate?
butyl 7-carboxyoxy-9-oxofluorene-2-carboxylate has a molecular weight of 340.33 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 7-carboxyoxy-9-oxofluorene-2-carboxylate is sourced from PubChem (CID 70387792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).