[2-methyl-3-(oxan-2-yloxy)propyl]-tritritiooxysilane

C9H20O5Si — CID 140697805

IUPAC[2-methyl-3-(oxan-2-yloxy)propyl]-tritritiooxysilane
SMILES[3H]O[Si](CC(C)COC1CCCCO1)(O[3H])O[3H]
InChIInChI=1S/C9H20O5Si/c1-8(7-15(10,11)12)6-14-9-4-2-3-5-13-9/h8-12H,2-7H2,1H3/i10T,11T,12T
InChIKeyBGDJTMDSRPFGBG-BRIOIKEISA-N
MW242.36 g/mol
LogP0.08
Rot. Bonds8

About [2-methyl-3-(oxan-2-yloxy)propyl]-tritritiooxysilane

[2-methyl-3-(oxan-2-yloxy)propyl]-tritritiooxysilane (PubChem CID 140697805) has the molecular formula C9H20O5Si and a molecular weight of 242.36 g/mol. Its IUPAC name is [2-methyl-3-(oxan-2-yloxy)propyl]-tritritiooxysilane.

Molecular Properties

Compound Name[2-methyl-3-(oxan-2-yloxy)propyl]-tritritiooxysilane
PubChem CID140697805
Molecular FormulaC9H20O5Si
Molecular Weight242.36 g/mol
Exact Mass242.13
IUPAC Name[2-methyl-3-(oxan-2-yloxy)propyl]-tritritiooxysilane
SMILES[3H]O[Si](CC(C)COC1CCCCO1)(O[3H])O[3H]
InChIInChI=1S/C9H20O5Si/c1-8(7-15(10,11)12)6-14-9-4-2-3-5-13-9/h8-12H,2-7H2,1H3/i10T,11T,12T
InChIKeyBGDJTMDSRPFGBG-BRIOIKEISA-N
XLogP0.08
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.08
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

2-(2-methylpent-4-ynoxy)oxane
CID 143125735
2-[(2R)-2-methylpentoxy]oxane
CID 57327472
2-[(2R)-4-iodo-2-methylbutoxy]oxane
CID 11779415
2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol
CID 85158047
3-(oxan-2-yloxy)propyl-tritritiooxysilane
CID 140697850
3-methyl-4-(oxan-2-yloxy)butanal
CID 58732523
(6S)-6-methyl-7-(oxan-2-yloxy)heptan-2-one
CID 11622725
4-amino-2-methylbutan-1-ol;3-methyl-4-(oxan-2-yloxy)butan-1-amine
CID 159084006
2-(2,3,3-trimethylbutoxy)oxane
CID 145356481
1-(oxolan-2-yloxy)propan-2-ol
CID 172822303
[(2S,3S)-3-methyl-2-[(3R)-3-methyl-4-(oxan-2-yloxy)butyl]oxiran-2-yl]methanol
CID 10400301
methyl (2R)-2-methyl-3-[(2R)-oxan-2-yl]oxypropanoate
CID 92975409

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-(oxan-2-yloxy)propyl]-tritritiooxysilane?
The IUPAC name of [2-methyl-3-(oxan-2-yloxy)propyl]-tritritiooxysilane (CID 140697805) is [2-methyl-3-(oxan-2-yloxy)propyl]-tritritiooxysilane.
What is the SMILES notation for [2-methyl-3-(oxan-2-yloxy)propyl]-tritritiooxysilane?
The canonical SMILES for [2-methyl-3-(oxan-2-yloxy)propyl]-tritritiooxysilane is [3H]O[Si](CC(C)COC1CCCCO1)(O[3H])O[3H].
What is the InChIKey of [2-methyl-3-(oxan-2-yloxy)propyl]-tritritiooxysilane?
The InChIKey is BGDJTMDSRPFGBG-BRIOIKEISA-N. The full InChI is InChI=1S/C9H20O5Si/c1-8(7-15(10,11)12)6-14-9-4-2-3-5-13-9/h8-12H,2-7H2,1H3/i10T,11T,12T.
What are the key properties of [2-methyl-3-(oxan-2-yloxy)propyl]-tritritiooxysilane?
[2-methyl-3-(oxan-2-yloxy)propyl]-tritritiooxysilane has a molecular weight of 242.36 g/mol, XLogP of 0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-(oxan-2-yloxy)propyl]-tritritiooxysilane is sourced from PubChem (CID 140697805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).