12-(9-oxofluorene-4-carbonyl)oxydodecyl 9-oxofluorene-4-carboxylate

C40H38O6 — CID 122493784

IUPAC12-(9-oxofluorene-4-carbonyl)oxydodecyl 9-oxofluorene-4-carboxylate
SMILESO=C(OCCCCCCCCCCCCOC(=O)c1cccc2c1-c1ccccc1C2=O)c1cccc2c1-c1ccccc1C2=O
InChIInChI=1S/C40H38O6/c41-37-29-19-11-9-17-27(29)35-31(37)21-15-23-33(35)39(43)45-25-13-7-5-3-1-2-4-6-8-14-26-46-40(44)34-24-16-22-32-36(34)28-18-10-12-20-30(28)38(32)42/h9-12,15-24H,1-8,13-14,25-26H2
InChIKeyMCTXHXRXEBXEOA-UHFFFAOYSA-N
MW614.74 g/mol
LogP9.02
Rot. Bonds15

About 12-(9-oxofluorene-4-carbonyl)oxydodecyl 9-oxofluorene-4-carboxylate

12-(9-oxofluorene-4-carbonyl)oxydodecyl 9-oxofluorene-4-carboxylate (PubChem CID 122493784) has the molecular formula C40H38O6 and a molecular weight of 614.74 g/mol. Its IUPAC name is 12-(9-oxofluorene-4-carbonyl)oxydodecyl 9-oxofluorene-4-carboxylate.

Molecular Properties

Compound Name12-(9-oxofluorene-4-carbonyl)oxydodecyl 9-oxofluorene-4-carboxylate
PubChem CID122493784
Molecular FormulaC40H38O6
Molecular Weight614.74 g/mol
Exact Mass614.27
IUPAC Name12-(9-oxofluorene-4-carbonyl)oxydodecyl 9-oxofluorene-4-carboxylate
SMILESO=C(OCCCCCCCCCCCCOC(=O)c1cccc2c1-c1ccccc1C2=O)c1cccc2c1-c1ccccc1C2=O
InChIInChI=1S/C40H38O6/c41-37-29-19-11-9-17-27(29)35-31(37)21-15-23-33(35)39(43)45-25-13-7-5-3-1-2-4-6-8-14-26-46-40(44)34-24-16-22-32-36(34)28-18-10-12-20-30(28)38(32)42/h9-12,15-24H,1-8,13-14,25-26H2
InChIKeyMCTXHXRXEBXEOA-UHFFFAOYSA-N
XLogP9.02
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.74
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

butyl 9,10-dioxoanthracene-1-carboxylate
CID 18098381
2-(dimethylamino)ethyl 9-oxofluorene-4-carboxylate
CID 7730694
benzyl 9-oxofluorene-4-carboxylate
CID 21241008
4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxybutyl 9-oxofluorene-4-carboxylate
CID 44581409
hexadecyl 1,3-dioxo-2-benzofuran-4-carboxylate
CID 139645705
[2-(methylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 7969695
butyl 2-(2-butoxycarbonylphenyl)-3-phenylbenzoate
CID 69286308
9-oxofluorene-4-carbonyl chloride
CID 610142
bis(98-methylnonanonacontyl) benzene-1,2-dicarboxylate
CID 87582689
[2-(hexylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 9019973
1-O-hexyl 2-O-tetradecyl benzene-1,2-dicarboxylate
CID 6423379
diicosyl benzene-1,2-dicarboxylate
CID 22491819

Frequently Asked Questions

What is the IUPAC name of 12-(9-oxofluorene-4-carbonyl)oxydodecyl 9-oxofluorene-4-carboxylate?
The IUPAC name of 12-(9-oxofluorene-4-carbonyl)oxydodecyl 9-oxofluorene-4-carboxylate (CID 122493784) is 12-(9-oxofluorene-4-carbonyl)oxydodecyl 9-oxofluorene-4-carboxylate.
What is the SMILES notation for 12-(9-oxofluorene-4-carbonyl)oxydodecyl 9-oxofluorene-4-carboxylate?
The canonical SMILES for 12-(9-oxofluorene-4-carbonyl)oxydodecyl 9-oxofluorene-4-carboxylate is O=C(OCCCCCCCCCCCCOC(=O)c1cccc2c1-c1ccccc1C2=O)c1cccc2c1-c1ccccc1C2=O.
What is the InChIKey of 12-(9-oxofluorene-4-carbonyl)oxydodecyl 9-oxofluorene-4-carboxylate?
The InChIKey is MCTXHXRXEBXEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38O6/c41-37-29-19-11-9-17-27(29)35-31(37)21-15-23-33(35)39(43)45-25-13-7-5-3-1-2-4-6-8-14-26-46-40(44)34-24-16-22-32-36(34)28-18-10-12-20-30(28)38(32)42/h9-12,15-24H,1-8,13-14,25-26H2.
What are the key properties of 12-(9-oxofluorene-4-carbonyl)oxydodecyl 9-oxofluorene-4-carboxylate?
12-(9-oxofluorene-4-carbonyl)oxydodecyl 9-oxofluorene-4-carboxylate has a molecular weight of 614.74 g/mol, XLogP of 9.02, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(9-oxofluorene-4-carbonyl)oxydodecyl 9-oxofluorene-4-carboxylate is sourced from PubChem (CID 122493784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).