6,6'-bis[1-(2-ethoxyethoxy)ethoxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol

C33H48O8 — CID 69054747

IUPAC6,6'-bis[1-(2-ethoxyethoxy)ethoxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol
SMILESCCOCCOC(C)Oc1cc2c(cc1O)C1(CC2(C)C)CC(C)(C)c2cc(OC(C)OCCOCC)c(O)cc21
InChIInChI=1S/C33H48O8/c1-9-36-11-13-38-21(3)40-29-17-23-25(15-27(29)34)33(19-31(23,5)6)20-32(7,8)24-18-30(28(35)16-26(24)33)41-22(4)39-14-12-37-10-2/h15-18,21-22,34-35H,9-14,19-20H2,1-8H3
InChIKeyYBXANRWABNZUAY-UHFFFAOYSA-N
MW572.74 g/mol
LogP6.30
Rot. Bonds14

About 6,6'-bis[1-(2-ethoxyethoxy)ethoxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol

6,6'-bis[1-(2-ethoxyethoxy)ethoxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol (PubChem CID 69054747) has the molecular formula C33H48O8 and a molecular weight of 572.74 g/mol. Its IUPAC name is 6,6'-bis[1-(2-ethoxyethoxy)ethoxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol.

Molecular Properties

Compound Name6,6'-bis[1-(2-ethoxyethoxy)ethoxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol
PubChem CID69054747
Molecular FormulaC33H48O8
Molecular Weight572.74 g/mol
Exact Mass572.33
IUPAC Name6,6'-bis[1-(2-ethoxyethoxy)ethoxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol
SMILESCCOCCOC(C)Oc1cc2c(cc1O)C1(CC2(C)C)CC(C)(C)c2cc(OC(C)OCCOCC)c(O)cc21
InChIInChI=1S/C33H48O8/c1-9-36-11-13-38-21(3)40-29-17-23-25(15-27(29)34)33(19-31(23,5)6)20-32(7,8)24-18-30(28(35)16-26(24)33)41-22(4)39-14-12-37-10-2/h15-18,21-22,34-35H,9-14,19-20H2,1-8H3
InChIKeyYBXANRWABNZUAY-UHFFFAOYSA-N
XLogP6.30
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.74
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6'-bis[1-(2-ethoxyethoxy)ethoxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol?
The IUPAC name of 6,6'-bis[1-(2-ethoxyethoxy)ethoxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol (CID 69054747) is 6,6'-bis[1-(2-ethoxyethoxy)ethoxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol.
What is the SMILES notation for 6,6'-bis[1-(2-ethoxyethoxy)ethoxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol?
The canonical SMILES for 6,6'-bis[1-(2-ethoxyethoxy)ethoxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol is CCOCCOC(C)Oc1cc2c(cc1O)C1(CC2(C)C)CC(C)(C)c2cc(OC(C)OCCOCC)c(O)cc21.
What is the InChIKey of 6,6'-bis[1-(2-ethoxyethoxy)ethoxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol?
The InChIKey is YBXANRWABNZUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48O8/c1-9-36-11-13-38-21(3)40-29-17-23-25(15-27(29)34)33(19-31(23,5)6)20-32(7,8)24-18-30(28(35)16-26(24)33)41-22(4)39-14-12-37-10-2/h15-18,21-22,34-35H,9-14,19-20H2,1-8H3.
What are the key properties of 6,6'-bis[1-(2-ethoxyethoxy)ethoxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol?
6,6'-bis[1-(2-ethoxyethoxy)ethoxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol has a molecular weight of 572.74 g/mol, XLogP of 6.30, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6'-bis[1-(2-ethoxyethoxy)ethoxy]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol is sourced from PubChem (CID 69054747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).