[3-(methoxymethoxy)-2-methylpropyl]-tritritiooxysilane

C6H16O5Si — CID 140697824

IUPAC[3-(methoxymethoxy)-2-methylpropyl]-tritritiooxysilane
SMILES[3H]O[Si](CC(C)COCOC)(O[3H])O[3H]
InChIInChI=1S/C6H16O5Si/c1-6(3-11-5-10-2)4-12(7,8)9/h6-9H,3-5H2,1-2H3/i7T,8T,9T
InChIKeyVHWXRKGIIQDTNH-LEKWECHUSA-N
MW202.30 g/mol
LogP-0.84
Rot. Bonds9

About [3-(methoxymethoxy)-2-methylpropyl]-tritritiooxysilane

[3-(methoxymethoxy)-2-methylpropyl]-tritritiooxysilane (PubChem CID 140697824) has the molecular formula C6H16O5Si and a molecular weight of 202.30 g/mol. Its IUPAC name is [3-(methoxymethoxy)-2-methylpropyl]-tritritiooxysilane.

Molecular Properties

Compound Name[3-(methoxymethoxy)-2-methylpropyl]-tritritiooxysilane
PubChem CID140697824
Molecular FormulaC6H16O5Si
Molecular Weight202.30 g/mol
Exact Mass202.10
IUPAC Name[3-(methoxymethoxy)-2-methylpropyl]-tritritiooxysilane
SMILES[3H]O[Si](CC(C)COCOC)(O[3H])O[3H]
InChIInChI=1S/C6H16O5Si/c1-6(3-11-5-10-2)4-12(7,8)9/h6-9H,3-5H2,1-2H3/i7T,8T,9T
InChIKeyVHWXRKGIIQDTNH-LEKWECHUSA-N
XLogP-0.84
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [3-(methoxymethoxy)-2-methylpropyl]-tritritiooxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethoxy)-2-methylpropyl]-tritritiooxysilane?
The IUPAC name of [3-(methoxymethoxy)-2-methylpropyl]-tritritiooxysilane (CID 140697824) is [3-(methoxymethoxy)-2-methylpropyl]-tritritiooxysilane.
What is the SMILES notation for [3-(methoxymethoxy)-2-methylpropyl]-tritritiooxysilane?
The canonical SMILES for [3-(methoxymethoxy)-2-methylpropyl]-tritritiooxysilane is [3H]O[Si](CC(C)COCOC)(O[3H])O[3H].
What is the InChIKey of [3-(methoxymethoxy)-2-methylpropyl]-tritritiooxysilane?
The InChIKey is VHWXRKGIIQDTNH-LEKWECHUSA-N. The full InChI is InChI=1S/C6H16O5Si/c1-6(3-11-5-10-2)4-12(7,8)9/h6-9H,3-5H2,1-2H3/i7T,8T,9T.
What are the key properties of [3-(methoxymethoxy)-2-methylpropyl]-tritritiooxysilane?
[3-(methoxymethoxy)-2-methylpropyl]-tritritiooxysilane has a molecular weight of 202.30 g/mol, XLogP of -0.84, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethoxy)-2-methylpropyl]-tritritiooxysilane is sourced from PubChem (CID 140697824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).