2,3-dihydro-1,4-benzodioxin-6-ylmethyl(tritritiooxy)silane

C9H12O5Si — CID 140826895

IUPAC2,3-dihydro-1,4-benzodioxin-6-ylmethyl(tritritiooxy)silane
SMILES[3H]O[Si](Cc1ccc2c(c1)OCCO2)(O[3H])O[3H]
InChIInChI=1S/C9H12O5Si/c10-15(11,12)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-2,5,10-12H,3-4,6H2/i10T,11T,12T
InChIKeyGFWDVSBLAUHTHT-BRIOIKEISA-N
MW234.30 g/mol
LogP-0.54
Rot. Bonds5

About 2,3-dihydro-1,4-benzodioxin-6-ylmethyl(tritritiooxy)silane

2,3-dihydro-1,4-benzodioxin-6-ylmethyl(tritritiooxy)silane (PubChem CID 140826895) has the molecular formula C9H12O5Si and a molecular weight of 234.30 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-ylmethyl(tritritiooxy)silane.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-ylmethyl(tritritiooxy)silane
PubChem CID140826895
Molecular FormulaC9H12O5Si
Molecular Weight234.30 g/mol
Exact Mass234.07
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-ylmethyl(tritritiooxy)silane
SMILES[3H]O[Si](Cc1ccc2c(c1)OCCO2)(O[3H])O[3H]
InChIInChI=1S/C9H12O5Si/c10-15(11,12)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-2,5,10-12H,3-4,6H2/i10T,11T,12T
InChIKeyGFWDVSBLAUHTHT-BRIOIKEISA-N
XLogP-0.54
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)thiohydroxylamine
CID 163890520
6-(2-fluoroethyl)-2,3-dihydro-1,4-benzodioxine
CID 175038395
3-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,1-diol
CID 163584472
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
CID 3710308
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-prop-2-ynylacetamide
CID 18109939
11,24-diethyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene
CID 3355803
3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanethioamide
CID 82080478
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylethanamine
CID 117043729
N-(chloromethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 115262976
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-hydroxypropyl)acetamide
CID 92670427
N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 17392024
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butan-1-ol
CID 116930737

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-ylmethyl(tritritiooxy)silane?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-ylmethyl(tritritiooxy)silane (CID 140826895) is 2,3-dihydro-1,4-benzodioxin-6-ylmethyl(tritritiooxy)silane.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-ylmethyl(tritritiooxy)silane?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-ylmethyl(tritritiooxy)silane is [3H]O[Si](Cc1ccc2c(c1)OCCO2)(O[3H])O[3H].
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-ylmethyl(tritritiooxy)silane?
The InChIKey is GFWDVSBLAUHTHT-BRIOIKEISA-N. The full InChI is InChI=1S/C9H12O5Si/c10-15(11,12)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-2,5,10-12H,3-4,6H2/i10T,11T,12T.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-ylmethyl(tritritiooxy)silane?
2,3-dihydro-1,4-benzodioxin-6-ylmethyl(tritritiooxy)silane has a molecular weight of 234.30 g/mol, XLogP of -0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-ylmethyl(tritritiooxy)silane is sourced from PubChem (CID 140826895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).