(1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-2'-yl) 2-methylpropanoate

C25H30O2 — CID 150265633

IUPAC(1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-2'-yl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1C(C)(C)c2ccccc2C12CC(C)(C)c1ccccc12
InChIInChI=1S/C25H30O2/c1-16(2)21(26)27-22-24(5,6)18-12-8-10-14-20(18)25(22)15-23(3,4)17-11-7-9-13-19(17)25/h7-14,16,22H,15H2,1-6H3
InChIKeyGCLZPHLCZOEXDX-UHFFFAOYSA-N
MW362.51 g/mol
LogP5.51
Rot. Bonds2

About (1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-2'-yl) 2-methylpropanoate

(1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-2'-yl) 2-methylpropanoate (PubChem CID 150265633) has the molecular formula C25H30O2 and a molecular weight of 362.51 g/mol. Its IUPAC name is (1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-2'-yl) 2-methylpropanoate.

Molecular Properties

Compound Name(1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-2'-yl) 2-methylpropanoate
PubChem CID150265633
Molecular FormulaC25H30O2
Molecular Weight362.51 g/mol
Exact Mass362.22
IUPAC Name(1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-2'-yl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1C(C)(C)c2ccccc2C12CC(C)(C)c1ccccc12
InChIInChI=1S/C25H30O2/c1-16(2)21(26)27-22-24(5,6)18-12-8-10-14-20(18)25(22)15-23(3,4)17-11-7-9-13-19(17)25/h7-14,16,22H,15H2,1-6H3
InChIKeyGCLZPHLCZOEXDX-UHFFFAOYSA-N
XLogP5.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.51
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-2'-yl) 2-methylpropanoate?
The IUPAC name of (1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-2'-yl) 2-methylpropanoate (CID 150265633) is (1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-2'-yl) 2-methylpropanoate.
What is the SMILES notation for (1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-2'-yl) 2-methylpropanoate?
The canonical SMILES for (1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-2'-yl) 2-methylpropanoate is CC(C)C(=O)OC1C(C)(C)c2ccccc2C12CC(C)(C)c1ccccc12.
What is the InChIKey of (1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-2'-yl) 2-methylpropanoate?
The InChIKey is GCLZPHLCZOEXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O2/c1-16(2)21(26)27-22-24(5,6)18-12-8-10-14-20(18)25(22)15-23(3,4)17-11-7-9-13-19(17)25/h7-14,16,22H,15H2,1-6H3.
What are the key properties of (1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-2'-yl) 2-methylpropanoate?
(1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-2'-yl) 2-methylpropanoate has a molecular weight of 362.51 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-2'-yl) 2-methylpropanoate is sourced from PubChem (CID 150265633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).