1,1,3,3-tetramethyl-2-(2-methylbutan-2-yloxy)isoindole

C17H27NO — CID 101197441

IUPAC1,1,3,3-tetramethyl-2-(2-methylbutan-2-yloxy)isoindole
SMILESCCC(C)(C)ON1C(C)(C)c2ccccc2C1(C)C
InChIInChI=1S/C17H27NO/c1-8-15(2,3)19-18-16(4,5)13-11-9-10-12-14(13)17(18,6)7/h9-12H,8H2,1-7H3
InChIKeyUMWVDLBHEIFILN-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.59
Rot. Bonds3

About 1,1,3,3-tetramethyl-2-(2-methylbutan-2-yloxy)isoindole

1,1,3,3-tetramethyl-2-(2-methylbutan-2-yloxy)isoindole (PubChem CID 101197441) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-(2-methylbutan-2-yloxy)isoindole.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-(2-methylbutan-2-yloxy)isoindole
PubChem CID101197441
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1,1,3,3-tetramethyl-2-(2-methylbutan-2-yloxy)isoindole
SMILESCCC(C)(C)ON1C(C)(C)c2ccccc2C1(C)C
InChIInChI=1S/C17H27NO/c1-8-15(2,3)19-18-16(4,5)13-11-9-10-12-14(13)17(18,6)7/h9-12H,8H2,1-7H3
InChIKeyUMWVDLBHEIFILN-UHFFFAOYSA-N
XLogP4.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-(2-methylbutan-2-yloxy)isoindole?
The IUPAC name of 1,1,3,3-tetramethyl-2-(2-methylbutan-2-yloxy)isoindole (CID 101197441) is 1,1,3,3-tetramethyl-2-(2-methylbutan-2-yloxy)isoindole.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-(2-methylbutan-2-yloxy)isoindole?
The canonical SMILES for 1,1,3,3-tetramethyl-2-(2-methylbutan-2-yloxy)isoindole is CCC(C)(C)ON1C(C)(C)c2ccccc2C1(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-2-(2-methylbutan-2-yloxy)isoindole?
The InChIKey is UMWVDLBHEIFILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-8-15(2,3)19-18-16(4,5)13-11-9-10-12-14(13)17(18,6)7/h9-12H,8H2,1-7H3.
What are the key properties of 1,1,3,3-tetramethyl-2-(2-methylbutan-2-yloxy)isoindole?
1,1,3,3-tetramethyl-2-(2-methylbutan-2-yloxy)isoindole has a molecular weight of 261.41 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-(2-methylbutan-2-yloxy)isoindole is sourced from PubChem (CID 101197441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).