1,1,3,3-tetramethyl-2-[(2-methylpropan-2-yl)oxymethoxy]isoindole

C17H27NO2 — CID 10356166

IUPAC1,1,3,3-tetramethyl-2-[(2-methylpropan-2-yl)oxymethoxy]isoindole
SMILESCC(C)(C)OCON1C(C)(C)c2ccccc2C1(C)C
InChIInChI=1S/C17H27NO2/c1-15(2,3)19-12-20-18-16(4,5)13-10-8-9-11-14(13)17(18,6)7/h8-11H,12H2,1-7H3
InChIKeyXHBDVWDTJLZUKY-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.18
Rot. Bonds3

About 1,1,3,3-tetramethyl-2-[(2-methylpropan-2-yl)oxymethoxy]isoindole

1,1,3,3-tetramethyl-2-[(2-methylpropan-2-yl)oxymethoxy]isoindole (PubChem CID 10356166) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-[(2-methylpropan-2-yl)oxymethoxy]isoindole.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-[(2-methylpropan-2-yl)oxymethoxy]isoindole
PubChem CID10356166
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1,1,3,3-tetramethyl-2-[(2-methylpropan-2-yl)oxymethoxy]isoindole
SMILESCC(C)(C)OCON1C(C)(C)c2ccccc2C1(C)C
InChIInChI=1S/C17H27NO2/c1-15(2,3)19-12-20-18-16(4,5)13-10-8-9-11-14(13)17(18,6)7/h8-11H,12H2,1-7H3
InChIKeyXHBDVWDTJLZUKY-UHFFFAOYSA-N
XLogP4.18
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-[(2-methylpropan-2-yl)oxymethoxy]isoindole?
The IUPAC name of 1,1,3,3-tetramethyl-2-[(2-methylpropan-2-yl)oxymethoxy]isoindole (CID 10356166) is 1,1,3,3-tetramethyl-2-[(2-methylpropan-2-yl)oxymethoxy]isoindole.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-[(2-methylpropan-2-yl)oxymethoxy]isoindole?
The canonical SMILES for 1,1,3,3-tetramethyl-2-[(2-methylpropan-2-yl)oxymethoxy]isoindole is CC(C)(C)OCON1C(C)(C)c2ccccc2C1(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-2-[(2-methylpropan-2-yl)oxymethoxy]isoindole?
The InChIKey is XHBDVWDTJLZUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-15(2,3)19-12-20-18-16(4,5)13-10-8-9-11-14(13)17(18,6)7/h8-11H,12H2,1-7H3.
What are the key properties of 1,1,3,3-tetramethyl-2-[(2-methylpropan-2-yl)oxymethoxy]isoindole?
1,1,3,3-tetramethyl-2-[(2-methylpropan-2-yl)oxymethoxy]isoindole has a molecular weight of 277.41 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-[(2-methylpropan-2-yl)oxymethoxy]isoindole is sourced from PubChem (CID 10356166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).