9-(2-ethylhexyl)-9H-fluorene-3,6-dicarbaldehyde

C23H26O2 — CID 101243551

IUPAC9-(2-ethylhexyl)-9H-fluorene-3,6-dicarbaldehyde
SMILESCCCCC(CC)CC1c2ccc(C=O)cc2-c2cc(C=O)ccc21
InChIInChI=1S/C23H26O2/c1-3-5-6-16(4-2)11-21-19-9-7-17(14-24)12-22(19)23-13-18(15-25)8-10-20(21)23/h7-10,12-16,21H,3-6,11H2,1-2H3
InChIKeyMIEIJOOUYWLLEQ-UHFFFAOYSA-N
MW334.46 g/mol
LogP6.03
Rot. Bonds8

About 9-(2-ethylhexyl)-9H-fluorene-3,6-dicarbaldehyde

9-(2-ethylhexyl)-9H-fluorene-3,6-dicarbaldehyde (PubChem CID 101243551) has the molecular formula C23H26O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 9-(2-ethylhexyl)-9H-fluorene-3,6-dicarbaldehyde.

Molecular Properties

Compound Name9-(2-ethylhexyl)-9H-fluorene-3,6-dicarbaldehyde
PubChem CID101243551
Molecular FormulaC23H26O2
Molecular Weight334.46 g/mol
Exact Mass334.19
IUPAC Name9-(2-ethylhexyl)-9H-fluorene-3,6-dicarbaldehyde
SMILESCCCCC(CC)CC1c2ccc(C=O)cc2-c2cc(C=O)ccc21
InChIInChI=1S/C23H26O2/c1-3-5-6-16(4-2)11-21-19-9-7-17(14-24)12-22(19)23-13-18(15-25)8-10-20(21)23/h7-10,12-16,21H,3-6,11H2,1-2H3
InChIKeyMIEIJOOUYWLLEQ-UHFFFAOYSA-N
XLogP6.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(2-ethylhexyl)-2,7-bis[(E)-2-[4-[4-[(E)-2-[9-(2-ethylhexyl)-9H-fluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9H-fluorene
CID 101061836
4-[ethyl(2-ethylhexyl)amino]benzaldehyde
CID 87492667
2-ethylhexyl 4-formylbenzoate
CID 138566584
3,5-bis[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]benzaldehyde
CID 87321232
4-dodecan-3-ylbenzaldehyde
CID 57123935
15,16,24,25,33,34-hexakis(2-ethylhexoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene-6-carbaldehyde
CID 135480502
4-(1-hydroxyhexyl)benzaldehyde
CID 22246899
4-hexan-3-ylbenzaldehyde
CID 142249319
2-ethyl-N-(3-formylphenyl)hexanamide
CID 54554247
5-bromo-4-(2-ethylhexyl)thiophene-2-carbaldehyde
CID 122510135
1,3-bis(2-ethylhexyl)-1H-indene
CID 582598
6-(2-ethylhexyl)-13-[3-[13-(2-ethylhexyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 132938430

Frequently Asked Questions

What is the IUPAC name of 9-(2-ethylhexyl)-9H-fluorene-3,6-dicarbaldehyde?
The IUPAC name of 9-(2-ethylhexyl)-9H-fluorene-3,6-dicarbaldehyde (CID 101243551) is 9-(2-ethylhexyl)-9H-fluorene-3,6-dicarbaldehyde.
What is the SMILES notation for 9-(2-ethylhexyl)-9H-fluorene-3,6-dicarbaldehyde?
The canonical SMILES for 9-(2-ethylhexyl)-9H-fluorene-3,6-dicarbaldehyde is CCCCC(CC)CC1c2ccc(C=O)cc2-c2cc(C=O)ccc21.
What is the InChIKey of 9-(2-ethylhexyl)-9H-fluorene-3,6-dicarbaldehyde?
The InChIKey is MIEIJOOUYWLLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O2/c1-3-5-6-16(4-2)11-21-19-9-7-17(14-24)12-22(19)23-13-18(15-25)8-10-20(21)23/h7-10,12-16,21H,3-6,11H2,1-2H3.
What are the key properties of 9-(2-ethylhexyl)-9H-fluorene-3,6-dicarbaldehyde?
9-(2-ethylhexyl)-9H-fluorene-3,6-dicarbaldehyde has a molecular weight of 334.46 g/mol, XLogP of 6.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-ethylhexyl)-9H-fluorene-3,6-dicarbaldehyde is sourced from PubChem (CID 101243551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).