5,5'-dihydroxy-1,1,1',1',6,6'-hexamethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde

C25H28O4 — CID 154708474

IUPAC5,5'-dihydroxy-1,1,1',1',6,6'-hexamethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde
SMILESCc1cc2c(c(C=O)c1O)C1(CC2(C)C)CC(C)(C)c2cc(C)c(O)c(C=O)c21
InChIInChI=1S/C25H28O4/c1-13-7-17-19(15(9-26)21(13)28)25(11-23(17,3)4)12-24(5,6)18-8-14(2)22(29)16(10-27)20(18)25/h7-10,28-29H,11-12H2,1-6H3
InChIKeyWXVKQJKUJKUUQI-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.99
Rot. Bonds2

About 5,5'-dihydroxy-1,1,1',1',6,6'-hexamethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde

5,5'-dihydroxy-1,1,1',1',6,6'-hexamethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde (PubChem CID 154708474) has the molecular formula C25H28O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is 5,5'-dihydroxy-1,1,1',1',6,6'-hexamethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde.

Molecular Properties

Compound Name5,5'-dihydroxy-1,1,1',1',6,6'-hexamethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde
PubChem CID154708474
Molecular FormulaC25H28O4
Molecular Weight392.50 g/mol
Exact Mass392.20
IUPAC Name5,5'-dihydroxy-1,1,1',1',6,6'-hexamethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde
SMILESCc1cc2c(c(C=O)c1O)C1(CC2(C)C)CC(C)(C)c2cc(C)c(O)c(C=O)c21
InChIInChI=1S/C25H28O4/c1-13-7-17-19(15(9-26)21(13)28)25(11-23(17,3)4)12-24(5,6)18-8-14(2)22(29)16(10-27)20(18)25/h7-10,28-29H,11-12H2,1-6H3
InChIKeyWXVKQJKUJKUUQI-UHFFFAOYSA-N
XLogP4.99
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,5'-dihydroxy-1,1,1',1',6,6'-hexamethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5'-dihydroxy-1,1,1',1',6,6'-hexamethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde?
The IUPAC name of 5,5'-dihydroxy-1,1,1',1',6,6'-hexamethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde (CID 154708474) is 5,5'-dihydroxy-1,1,1',1',6,6'-hexamethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde.
What is the SMILES notation for 5,5'-dihydroxy-1,1,1',1',6,6'-hexamethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde?
The canonical SMILES for 5,5'-dihydroxy-1,1,1',1',6,6'-hexamethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde is Cc1cc2c(c(C=O)c1O)C1(CC2(C)C)CC(C)(C)c2cc(C)c(O)c(C=O)c21.
What is the InChIKey of 5,5'-dihydroxy-1,1,1',1',6,6'-hexamethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde?
The InChIKey is WXVKQJKUJKUUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O4/c1-13-7-17-19(15(9-26)21(13)28)25(11-23(17,3)4)12-24(5,6)18-8-14(2)22(29)16(10-27)20(18)25/h7-10,28-29H,11-12H2,1-6H3.
What are the key properties of 5,5'-dihydroxy-1,1,1',1',6,6'-hexamethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde?
5,5'-dihydroxy-1,1,1',1',6,6'-hexamethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde has a molecular weight of 392.50 g/mol, XLogP of 4.99, 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',6,6'-hexamethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde is sourced from PubChem (CID 154708474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).