6-amino-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]isoindol-1-ol

C16H26N2O2Si — CID 91285362

IUPAC6-amino-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]isoindol-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCn1cc2ccc(N)cc2c1O
InChIInChI=1S/C16H26N2O2Si/c1-16(2,3)21(4,5)20-9-8-18-11-12-6-7-13(17)10-14(12)15(18)19/h6-7,10-11,19H,8-9,17H2,1-5H3
InChIKeyHEMKXNQMFISRCT-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.95
Rot. Bonds4

About 6-amino-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]isoindol-1-ol

6-amino-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]isoindol-1-ol (PubChem CID 91285362) has the molecular formula C16H26N2O2Si and a molecular weight of 306.48 g/mol. Its IUPAC name is 6-amino-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]isoindol-1-ol.

Molecular Properties

Compound Name6-amino-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]isoindol-1-ol
PubChem CID91285362
Molecular FormulaC16H26N2O2Si
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC Name6-amino-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]isoindol-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCn1cc2ccc(N)cc2c1O
InChIInChI=1S/C16H26N2O2Si/c1-16(2,3)21(4,5)20-9-8-18-11-12-6-7-13(17)10-14(12)15(18)19/h6-7,10-11,19H,8-9,17H2,1-5H3
InChIKeyHEMKXNQMFISRCT-UHFFFAOYSA-N
XLogP3.95
TPSA60.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]isoindol-1-ol?
The IUPAC name of 6-amino-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]isoindol-1-ol (CID 91285362) is 6-amino-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]isoindol-1-ol.
What is the SMILES notation for 6-amino-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]isoindol-1-ol?
The canonical SMILES for 6-amino-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]isoindol-1-ol is CC(C)(C)[Si](C)(C)OCCn1cc2ccc(N)cc2c1O.
What is the InChIKey of 6-amino-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]isoindol-1-ol?
The InChIKey is HEMKXNQMFISRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2Si/c1-16(2,3)21(4,5)20-9-8-18-11-12-6-7-13(17)10-14(12)15(18)19/h6-7,10-11,19H,8-9,17H2,1-5H3.
What are the key properties of 6-amino-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]isoindol-1-ol?
6-amino-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]isoindol-1-ol has a molecular weight of 306.48 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]isoindol-1-ol is sourced from PubChem (CID 91285362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).