6-methyl-9-trimethylsilyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-8-ol

C14H21NO3Si — CID 15849943

IUPAC6-methyl-9-trimethylsilyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-8-ol
SMILESCN1Cc2cc3c(c([Si](C)(C)C)c2C(O)C1)OCO3
InChIInChI=1S/C14H21NO3Si/c1-15-6-9-5-11-13(18-8-17-11)14(19(2,3)4)12(9)10(16)7-15/h5,10,16H,6-8H2,1-4H3
InChIKeyQTHOGRWVGBVQIQ-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.44
Rot. Bonds1

About 6-methyl-9-trimethylsilyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-8-ol

6-methyl-9-trimethylsilyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-8-ol (PubChem CID 15849943) has the molecular formula C14H21NO3Si and a molecular weight of 279.41 g/mol. Its IUPAC name is 6-methyl-9-trimethylsilyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-8-ol.

Molecular Properties

Compound Name6-methyl-9-trimethylsilyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-8-ol
PubChem CID15849943
Molecular FormulaC14H21NO3Si
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC Name6-methyl-9-trimethylsilyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-8-ol
SMILESCN1Cc2cc3c(c([Si](C)(C)C)c2C(O)C1)OCO3
InChIInChI=1S/C14H21NO3Si/c1-15-6-9-5-11-13(18-8-17-11)14(19(2,3)4)12(9)10(16)7-15/h5,10,16H,6-8H2,1-4H3
InChIKeyQTHOGRWVGBVQIQ-UHFFFAOYSA-N
XLogP1.44
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-9-trimethylsilyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-8-ol?
The IUPAC name of 6-methyl-9-trimethylsilyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-8-ol (CID 15849943) is 6-methyl-9-trimethylsilyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-8-ol.
What is the SMILES notation for 6-methyl-9-trimethylsilyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-8-ol?
The canonical SMILES for 6-methyl-9-trimethylsilyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-8-ol is CN1Cc2cc3c(c([Si](C)(C)C)c2C(O)C1)OCO3.
What is the InChIKey of 6-methyl-9-trimethylsilyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-8-ol?
The InChIKey is QTHOGRWVGBVQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3Si/c1-15-6-9-5-11-13(18-8-17-11)14(19(2,3)4)12(9)10(16)7-15/h5,10,16H,6-8H2,1-4H3.
What are the key properties of 6-methyl-9-trimethylsilyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-8-ol?
6-methyl-9-trimethylsilyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-8-ol has a molecular weight of 279.41 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9-trimethylsilyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-8-ol is sourced from PubChem (CID 15849943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).