2-[[3-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]methoxy]isoindole-1,3-dione

C19H27NO5Si — CID 155747511

IUPAC2-[[3-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]methoxy]isoindole-1,3-dione
SMILESCC(C)(C)[Si](C)(C)OC1(CON2C(=O)c3ccccc3C2=O)CCOC1
InChIInChI=1S/C19H27NO5Si/c1-18(2,3)26(4,5)25-19(10-11-23-12-19)13-24-20-16(21)14-8-6-7-9-15(14)17(20)22/h6-9H,10-13H2,1-5H3
InChIKeyRVDNLOFOSFDSME-UHFFFAOYSA-N
MW377.51 g/mol
LogP3.40
Rot. Bonds5

About 2-[[3-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]methoxy]isoindole-1,3-dione

2-[[3-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]methoxy]isoindole-1,3-dione (PubChem CID 155747511) has the molecular formula C19H27NO5Si and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-[[3-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]methoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[3-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]methoxy]isoindole-1,3-dione
PubChem CID155747511
Molecular FormulaC19H27NO5Si
Molecular Weight377.51 g/mol
Exact Mass377.17
IUPAC Name2-[[3-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]methoxy]isoindole-1,3-dione
SMILESCC(C)(C)[Si](C)(C)OC1(CON2C(=O)c3ccccc3C2=O)CCOC1
InChIInChI=1S/C19H27NO5Si/c1-18(2,3)26(4,5)25-19(10-11-23-12-19)13-24-20-16(21)14-8-6-7-9-15(14)17(20)22/h6-9H,10-13H2,1-5H3
InChIKeyRVDNLOFOSFDSME-UHFFFAOYSA-N
XLogP3.40
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]methoxy]isoindole-1,3-dione?
The IUPAC name of 2-[[3-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]methoxy]isoindole-1,3-dione (CID 155747511) is 2-[[3-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]methoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[[3-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]methoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[[3-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]methoxy]isoindole-1,3-dione is CC(C)(C)[Si](C)(C)OC1(CON2C(=O)c3ccccc3C2=O)CCOC1.
What is the InChIKey of 2-[[3-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]methoxy]isoindole-1,3-dione?
The InChIKey is RVDNLOFOSFDSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5Si/c1-18(2,3)26(4,5)25-19(10-11-23-12-19)13-24-20-16(21)14-8-6-7-9-15(14)17(20)22/h6-9H,10-13H2,1-5H3.
What are the key properties of 2-[[3-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]methoxy]isoindole-1,3-dione?
2-[[3-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]methoxy]isoindole-1,3-dione has a molecular weight of 377.51 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]methoxy]isoindole-1,3-dione is sourced from PubChem (CID 155747511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).