1,1,3,3-tetramethyl-2-[(4-methyl-1,3-dioxan-2-yl)oxy]isoindole

C17H25NO3 — CID 11779056

IUPAC1,1,3,3-tetramethyl-2-[(4-methyl-1,3-dioxan-2-yl)oxy]isoindole
SMILESCC1CCOC(ON2C(C)(C)c3ccccc3C2(C)C)O1
InChIInChI=1S/C17H25NO3/c1-12-10-11-19-15(20-12)21-18-16(2,3)13-8-6-7-9-14(13)17(18,4)5/h6-9,12,15H,10-11H2,1-5H3
InChIKeyWXPHESPYENDLBK-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.51
Rot. Bonds2

About 1,1,3,3-tetramethyl-2-[(4-methyl-1,3-dioxan-2-yl)oxy]isoindole

1,1,3,3-tetramethyl-2-[(4-methyl-1,3-dioxan-2-yl)oxy]isoindole (PubChem CID 11779056) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-[(4-methyl-1,3-dioxan-2-yl)oxy]isoindole.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-[(4-methyl-1,3-dioxan-2-yl)oxy]isoindole
PubChem CID11779056
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1,1,3,3-tetramethyl-2-[(4-methyl-1,3-dioxan-2-yl)oxy]isoindole
SMILESCC1CCOC(ON2C(C)(C)c3ccccc3C2(C)C)O1
InChIInChI=1S/C17H25NO3/c1-12-10-11-19-15(20-12)21-18-16(2,3)13-8-6-7-9-14(13)17(18,4)5/h6-9,12,15H,10-11H2,1-5H3
InChIKeyWXPHESPYENDLBK-UHFFFAOYSA-N
XLogP3.51
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-[(4-methyl-1,3-dioxan-2-yl)oxy]isoindole?
The IUPAC name of 1,1,3,3-tetramethyl-2-[(4-methyl-1,3-dioxan-2-yl)oxy]isoindole (CID 11779056) is 1,1,3,3-tetramethyl-2-[(4-methyl-1,3-dioxan-2-yl)oxy]isoindole.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-[(4-methyl-1,3-dioxan-2-yl)oxy]isoindole?
The canonical SMILES for 1,1,3,3-tetramethyl-2-[(4-methyl-1,3-dioxan-2-yl)oxy]isoindole is CC1CCOC(ON2C(C)(C)c3ccccc3C2(C)C)O1.
What is the InChIKey of 1,1,3,3-tetramethyl-2-[(4-methyl-1,3-dioxan-2-yl)oxy]isoindole?
The InChIKey is WXPHESPYENDLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12-10-11-19-15(20-12)21-18-16(2,3)13-8-6-7-9-14(13)17(18,4)5/h6-9,12,15H,10-11H2,1-5H3.
What are the key properties of 1,1,3,3-tetramethyl-2-[(4-methyl-1,3-dioxan-2-yl)oxy]isoindole?
1,1,3,3-tetramethyl-2-[(4-methyl-1,3-dioxan-2-yl)oxy]isoindole has a molecular weight of 291.39 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-[(4-methyl-1,3-dioxan-2-yl)oxy]isoindole is sourced from PubChem (CID 11779056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).