2-(1,3-dioxan-2-yloxy)-1,1,3,3-tetramethylisoindole

C16H23NO3 — CID 10333734

IUPAC2-(1,3-dioxan-2-yloxy)-1,1,3,3-tetramethylisoindole
SMILESCC1(C)c2ccccc2C(C)(C)N1OC1OCCCO1
InChIInChI=1S/C16H23NO3/c1-15(2)12-8-5-6-9-13(12)16(3,4)17(15)20-14-18-10-7-11-19-14/h5-6,8-9,14H,7,10-11H2,1-4H3
InChIKeyOQNBNCIQUWPYNK-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.12
Rot. Bonds2

About 2-(1,3-dioxan-2-yloxy)-1,1,3,3-tetramethylisoindole

2-(1,3-dioxan-2-yloxy)-1,1,3,3-tetramethylisoindole (PubChem CID 10333734) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(1,3-dioxan-2-yloxy)-1,1,3,3-tetramethylisoindole.

Molecular Properties

Compound Name2-(1,3-dioxan-2-yloxy)-1,1,3,3-tetramethylisoindole
PubChem CID10333734
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(1,3-dioxan-2-yloxy)-1,1,3,3-tetramethylisoindole
SMILESCC1(C)c2ccccc2C(C)(C)N1OC1OCCCO1
InChIInChI=1S/C16H23NO3/c1-15(2)12-8-5-6-9-13(12)16(3,4)17(15)20-14-18-10-7-11-19-14/h5-6,8-9,14H,7,10-11H2,1-4H3
InChIKeyOQNBNCIQUWPYNK-UHFFFAOYSA-N
XLogP3.12
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-dioxan-2-yloxy)-1,1,3,3-tetramethylisoindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxan-2-yloxy)-1,1,3,3-tetramethylisoindole?
The IUPAC name of 2-(1,3-dioxan-2-yloxy)-1,1,3,3-tetramethylisoindole (CID 10333734) is 2-(1,3-dioxan-2-yloxy)-1,1,3,3-tetramethylisoindole.
What is the SMILES notation for 2-(1,3-dioxan-2-yloxy)-1,1,3,3-tetramethylisoindole?
The canonical SMILES for 2-(1,3-dioxan-2-yloxy)-1,1,3,3-tetramethylisoindole is CC1(C)c2ccccc2C(C)(C)N1OC1OCCCO1.
What is the InChIKey of 2-(1,3-dioxan-2-yloxy)-1,1,3,3-tetramethylisoindole?
The InChIKey is OQNBNCIQUWPYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-15(2)12-8-5-6-9-13(12)16(3,4)17(15)20-14-18-10-7-11-19-14/h5-6,8-9,14H,7,10-11H2,1-4H3.
What are the key properties of 2-(1,3-dioxan-2-yloxy)-1,1,3,3-tetramethylisoindole?
2-(1,3-dioxan-2-yloxy)-1,1,3,3-tetramethylisoindole has a molecular weight of 277.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxan-2-yloxy)-1,1,3,3-tetramethylisoindole is sourced from PubChem (CID 10333734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).