5,5'-dihydroxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde

C23H24O4 — CID 138963306

IUPAC5,5'-dihydroxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde
SMILESCC1(C)CC2(CC(C)(C)c3ccc(O)c(C=O)c32)c2c1ccc(O)c2C=O
InChIInChI=1S/C23H24O4/c1-21(2)11-23(19-13(9-24)17(26)7-5-15(19)21)12-22(3,4)16-6-8-18(27)14(10-25)20(16)23/h5-10,26-27H,11-12H2,1-4H3
InChIKeyUYCAWNRTNFKAOH-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.37
Rot. Bonds2

About 5,5'-dihydroxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde

5,5'-dihydroxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde (PubChem CID 138963306) has the molecular formula C23H24O4 and a molecular weight of 364.44 g/mol. Its IUPAC name is 5,5'-dihydroxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde.

Molecular Properties

Compound Name5,5'-dihydroxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde
PubChem CID138963306
Molecular FormulaC23H24O4
Molecular Weight364.44 g/mol
Exact Mass364.17
IUPAC Name5,5'-dihydroxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde
SMILESCC1(C)CC2(CC(C)(C)c3ccc(O)c(C=O)c32)c2c1ccc(O)c2C=O
InChIInChI=1S/C23H24O4/c1-21(2)11-23(19-13(9-24)17(26)7-5-15(19)21)12-22(3,4)16-6-8-18(27)14(10-25)20(16)23/h5-10,26-27H,11-12H2,1-4H3
InChIKeyUYCAWNRTNFKAOH-UHFFFAOYSA-N
XLogP4.37
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5'-dihydroxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde?
The IUPAC name of 5,5'-dihydroxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde (CID 138963306) is 5,5'-dihydroxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde.
What is the SMILES notation for 5,5'-dihydroxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde?
The canonical SMILES for 5,5'-dihydroxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde is CC1(C)CC2(CC(C)(C)c3ccc(O)c(C=O)c32)c2c1ccc(O)c2C=O.
What is the InChIKey of 5,5'-dihydroxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde?
The InChIKey is UYCAWNRTNFKAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O4/c1-21(2)11-23(19-13(9-24)17(26)7-5-15(19)21)12-22(3,4)16-6-8-18(27)14(10-25)20(16)23/h5-10,26-27H,11-12H2,1-4H3.
What are the key properties of 5,5'-dihydroxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde?
5,5'-dihydroxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde has a molecular weight of 364.44 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5'-dihydroxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde is sourced from PubChem (CID 138963306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).