5,5',6,6'-tetraethyl-2,2'-spirobi[1,3-dihydroindene]-4'-carbaldehyde

C26H32O — CID 12740215

IUPAC5,5',6,6'-tetraethyl-2,2'-spirobi[1,3-dihydroindene]-4'-carbaldehyde
SMILESCCc1cc2c(cc1CC)CC1(C2)Cc2cc(CC)c(CC)c(C=O)c2C1
InChIInChI=1S/C26H32O/c1-5-17-9-20-12-26(13-21(20)10-18(17)6-2)14-22-11-19(7-3)23(8-4)25(16-27)24(22)15-26/h9-11,16H,5-8,12-15H2,1-4H3
InChIKeyATABKVOOZMSMFN-UHFFFAOYSA-N
MW360.54 g/mol
LogP5.63
Rot. Bonds5

About 5,5',6,6'-tetraethyl-2,2'-spirobi[1,3-dihydroindene]-4'-carbaldehyde

5,5',6,6'-tetraethyl-2,2'-spirobi[1,3-dihydroindene]-4'-carbaldehyde (PubChem CID 12740215) has the molecular formula C26H32O and a molecular weight of 360.54 g/mol. Its IUPAC name is 5,5',6,6'-tetraethyl-2,2'-spirobi[1,3-dihydroindene]-4'-carbaldehyde.

Molecular Properties

Compound Name5,5',6,6'-tetraethyl-2,2'-spirobi[1,3-dihydroindene]-4'-carbaldehyde
PubChem CID12740215
Molecular FormulaC26H32O
Molecular Weight360.54 g/mol
Exact Mass360.25
IUPAC Name5,5',6,6'-tetraethyl-2,2'-spirobi[1,3-dihydroindene]-4'-carbaldehyde
SMILESCCc1cc2c(cc1CC)CC1(C2)Cc2cc(CC)c(CC)c(C=O)c2C1
InChIInChI=1S/C26H32O/c1-5-17-9-20-12-26(13-21(20)10-18(17)6-2)14-22-11-19(7-3)23(8-4)25(16-27)24(22)15-26/h9-11,16H,5-8,12-15H2,1-4H3
InChIKeyATABKVOOZMSMFN-UHFFFAOYSA-N
XLogP5.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.54
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3-ethyl-1-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbaldehyde
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Frequently Asked Questions

What is the IUPAC name of 5,5',6,6'-tetraethyl-2,2'-spirobi[1,3-dihydroindene]-4'-carbaldehyde?
The IUPAC name of 5,5',6,6'-tetraethyl-2,2'-spirobi[1,3-dihydroindene]-4'-carbaldehyde (CID 12740215) is 5,5',6,6'-tetraethyl-2,2'-spirobi[1,3-dihydroindene]-4'-carbaldehyde.
What is the SMILES notation for 5,5',6,6'-tetraethyl-2,2'-spirobi[1,3-dihydroindene]-4'-carbaldehyde?
The canonical SMILES for 5,5',6,6'-tetraethyl-2,2'-spirobi[1,3-dihydroindene]-4'-carbaldehyde is CCc1cc2c(cc1CC)CC1(C2)Cc2cc(CC)c(CC)c(C=O)c2C1.
What is the InChIKey of 5,5',6,6'-tetraethyl-2,2'-spirobi[1,3-dihydroindene]-4'-carbaldehyde?
The InChIKey is ATABKVOOZMSMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O/c1-5-17-9-20-12-26(13-21(20)10-18(17)6-2)14-22-11-19(7-3)23(8-4)25(16-27)24(22)15-26/h9-11,16H,5-8,12-15H2,1-4H3.
What are the key properties of 5,5',6,6'-tetraethyl-2,2'-spirobi[1,3-dihydroindene]-4'-carbaldehyde?
5,5',6,6'-tetraethyl-2,2'-spirobi[1,3-dihydroindene]-4'-carbaldehyde has a molecular weight of 360.54 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5',6,6'-tetraethyl-2,2'-spirobi[1,3-dihydroindene]-4'-carbaldehyde is sourced from PubChem (CID 12740215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).