dipentyl fluorene-9,9-dicarboxylate

C25H30O4 — CID 126715860

IUPACdipentyl fluorene-9,9-dicarboxylate
SMILESCCCCCOC(=O)C1(C(=O)OCCCCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H30O4/c1-3-5-11-17-28-23(26)25(24(27)29-18-12-6-4-2)21-15-9-7-13-19(21)20-14-8-10-16-22(20)25/h7-10,13-16H,3-6,11-12,17-18H2,1-2H3
InChIKeyOWLUVZKICVSXCQ-UHFFFAOYSA-N
MW394.51 g/mol
LogP5.42
Rot. Bonds10

About dipentyl fluorene-9,9-dicarboxylate

dipentyl fluorene-9,9-dicarboxylate (PubChem CID 126715860) has the molecular formula C25H30O4 and a molecular weight of 394.51 g/mol. Its IUPAC name is dipentyl fluorene-9,9-dicarboxylate.

Molecular Properties

Compound Namedipentyl fluorene-9,9-dicarboxylate
PubChem CID126715860
Molecular FormulaC25H30O4
Molecular Weight394.51 g/mol
Exact Mass394.21
IUPAC Namedipentyl fluorene-9,9-dicarboxylate
SMILESCCCCCOC(=O)C1(C(=O)OCCCCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H30O4/c1-3-5-11-17-28-23(26)25(24(27)29-18-12-6-4-2)21-15-9-7-13-19(21)20-14-8-10-16-22(20)25/h7-10,13-16H,3-6,11-12,17-18H2,1-2H3
InChIKeyOWLUVZKICVSXCQ-UHFFFAOYSA-N
XLogP5.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

butyl 9-hydroxyfluorene-9-carboxylate;silver
CID 122424754
tetradodecyl thieno[2,3-f][1]benzothiole-4,4,8,8-tetracarboxylate
CID 86711081
butyl 2-[9-(1-butoxy-1-oxopentan-2-yl)fluoren-9-yl]pentanoate
CID 141442960
dioctyl 1,3-benzodioxole-2,2-dicarboxylate
CID 139836518
butyl 1-phenylcyclobutane-1-carboxylate
CID 112724955
diicosyl benzene-1,2-dicarboxylate
CID 22491819
dinonyl benzene-1,2-dicarboxylate;dioctyl benzene-1,2-dicarboxylate
CID 159101599
1-O-hexyl 2-O-tetradecyl benzene-1,2-dicarboxylate
CID 6423379
2-O-nonyl 1-O-pentyl benzene-1,2-dicarboxylate
CID 6423391
ditridecyl benzene-1,2-dicarboxylate
CID 8379
didecyl benzene-1,2-dicarboxylate;ditridecyl benzene-1,2-dicarboxylate
CID 88778936
2-O-decyl 1-O-pentyl benzene-1,2-dicarboxylate
CID 6423868

Frequently Asked Questions

What is the IUPAC name of dipentyl fluorene-9,9-dicarboxylate?
The IUPAC name of dipentyl fluorene-9,9-dicarboxylate (CID 126715860) is dipentyl fluorene-9,9-dicarboxylate.
What is the SMILES notation for dipentyl fluorene-9,9-dicarboxylate?
The canonical SMILES for dipentyl fluorene-9,9-dicarboxylate is CCCCCOC(=O)C1(C(=O)OCCCCC)c2ccccc2-c2ccccc21.
What is the InChIKey of dipentyl fluorene-9,9-dicarboxylate?
The InChIKey is OWLUVZKICVSXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O4/c1-3-5-11-17-28-23(26)25(24(27)29-18-12-6-4-2)21-15-9-7-13-19(21)20-14-8-10-16-22(20)25/h7-10,13-16H,3-6,11-12,17-18H2,1-2H3.
What are the key properties of dipentyl fluorene-9,9-dicarboxylate?
dipentyl fluorene-9,9-dicarboxylate has a molecular weight of 394.51 g/mol, XLogP of 5.42, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipentyl fluorene-9,9-dicarboxylate is sourced from PubChem (CID 126715860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).