2-[[5-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]isoindole-1,3-dione

C24H31NO8 — CID 176836981

IUPAC2-[[5-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]isoindole-1,3-dione
SMILESCC1(C)OCC(C2OC(C)(C)OC2C2OC(C)(C)OC2CN2C(=O)c3ccccc3C2=O)O1
InChIInChI=1S/C24H31NO8/c1-22(2)28-12-16(30-22)18-19(33-24(5,6)32-18)17-15(29-23(3,4)31-17)11-25-20(26)13-9-7-8-10-14(13)21(25)27/h7-10,15-19H,11-12H2,1-6H3
InChIKeyLGKWLSSEJOGKRI-UHFFFAOYSA-N
MW461.51 g/mol
LogP2.47
Rot. Bonds4

About 2-[[5-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]isoindole-1,3-dione

2-[[5-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]isoindole-1,3-dione (PubChem CID 176836981) has the molecular formula C24H31NO8 and a molecular weight of 461.51 g/mol. Its IUPAC name is 2-[[5-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[5-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]isoindole-1,3-dione
PubChem CID176836981
Molecular FormulaC24H31NO8
Molecular Weight461.51 g/mol
Exact Mass461.20
IUPAC Name2-[[5-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]isoindole-1,3-dione
SMILESCC1(C)OCC(C2OC(C)(C)OC2C2OC(C)(C)OC2CN2C(=O)c3ccccc3C2=O)O1
InChIInChI=1S/C24H31NO8/c1-22(2)28-12-16(30-22)18-19(33-24(5,6)32-18)17-15(29-23(3,4)31-17)11-25-20(26)13-9-7-8-10-14(13)21(25)27/h7-10,15-19H,11-12H2,1-6H3
InChIKeyLGKWLSSEJOGKRI-UHFFFAOYSA-N
XLogP2.47
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.51
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[[5-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[5-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]isoindole-1,3-dione (CID 176836981) is 2-[[5-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[5-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[5-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]isoindole-1,3-dione is CC1(C)OCC(C2OC(C)(C)OC2C2OC(C)(C)OC2CN2C(=O)c3ccccc3C2=O)O1.
What is the InChIKey of 2-[[5-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]isoindole-1,3-dione?
The InChIKey is LGKWLSSEJOGKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO8/c1-22(2)28-12-16(30-22)18-19(33-24(5,6)32-18)17-15(29-23(3,4)31-17)11-25-20(26)13-9-7-8-10-14(13)21(25)27/h7-10,15-19H,11-12H2,1-6H3.
What are the key properties of 2-[[5-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]isoindole-1,3-dione?
2-[[5-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]isoindole-1,3-dione has a molecular weight of 461.51 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 176836981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).