lithium;butane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane

C13H29LiO5Si — CID 174857617

IUPAClithium;butane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane
SMILESCCC(OCC1CO1)[Si](OC)(OC)OC.[CH2-]CCC.[Li+]
InChIInChI=1S/C9H20O5Si.C4H9.Li/c1-5-9(14-7-8-6-13-8)15(10-2,11-3)12-4;1-3-4-2;/h8-9H,5-7H2,1-4H3;1,3-4H2,2H3;/q;-1;+1
InChIKeyKQAPDZFDXHFJLI-UHFFFAOYSA-N
MW300.40 g/mol
LogP-0.78
Rot. Bonds9

About lithium;butane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane

lithium;butane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane (PubChem CID 174857617) has the molecular formula C13H29LiO5Si and a molecular weight of 300.40 g/mol. Its IUPAC name is lithium;butane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane.

Molecular Properties

Compound Namelithium;butane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane
PubChem CID174857617
Molecular FormulaC13H29LiO5Si
Molecular Weight300.40 g/mol
Exact Mass300.19
IUPAC Namelithium;butane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane
SMILESCCC(OCC1CO1)[Si](OC)(OC)OC.[CH2-]CCC.[Li+]
InChIInChI=1S/C9H20O5Si.C4H9.Li/c1-5-9(14-7-8-6-13-8)15(10-2,11-3)12-4;1-3-4-2;/h8-9H,5-7H2,1-4H3;1,3-4H2,2H3;/q;-1;+1
InChIKeyKQAPDZFDXHFJLI-UHFFFAOYSA-N
XLogP-0.78
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 5-0.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze lithium;butane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane with MolForge

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

Launch Full Analysis

Related Compounds

triethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane
CID 87862101
CID 18963637
CID 18963637
diethoxy-[2-(oxiran-2-ylmethoxy)butyl]silane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane
CID 173350815
butyl-dimethyl-[1-(oxiran-2-ylmethoxy)propyl]silane
CID 87929298
trimethoxy-[6-(oxiran-2-ylmethoxy)heptan-3-yl]silane
CID 89312307
trimethoxy-[3-(oxiran-2-ylmethoxy)undecan-4-yl]silane
CID 175003843
trimethoxy-[1-[1-(oxiran-2-yl)butoxy]propyl]silane
CID 175023588
diethoxy-[oxiran-2-ylmethoxy(triethoxysilyl)methyl]-propylsilane
CID 150689843
triethoxy-[1-[3-(oxiran-2-yl)propoxy]propyl]silane
CID 175078936
hydroxy-[1-(oxiran-2-ylmethoxy)propyl]silane
CID 173054354
1-[dimethoxy(methyl)silyl]propan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174822404
methyl-[1-(oxiran-2-ylmethoxy)ethyl]-dipropoxysilane
CID 54021833

Frequently Asked Questions

What is the IUPAC name of lithium;butane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane?
The IUPAC name of lithium;butane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane (CID 174857617) is lithium;butane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane.
What is the SMILES notation for lithium;butane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane?
The canonical SMILES for lithium;butane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane is CCC(OCC1CO1)[Si](OC)(OC)OC.[CH2-]CCC.[Li+].
What is the InChIKey of lithium;butane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane?
The InChIKey is KQAPDZFDXHFJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O5Si.C4H9.Li/c1-5-9(14-7-8-6-13-8)15(10-2,11-3)12-4;1-3-4-2;/h8-9H,5-7H2,1-4H3;1,3-4H2,2H3;/q;-1;+1.
What are the key properties of lithium;butane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane?
lithium;butane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane has a molecular weight of 300.40 g/mol, XLogP of -0.78, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;butane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane is sourced from PubChem (CID 174857617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).