tris(1-methoxyethoxy)-[4-(oxiran-2-yl)butyl]silane

C15H32O7Si — CID 18508396

IUPACtris(1-methoxyethoxy)-[4-(oxiran-2-yl)butyl]silane
SMILESCOC(C)O[Si](CCCCC1CO1)(OC(C)OC)OC(C)OC
InChIInChI=1S/C15H32O7Si/c1-12(16-4)20-23(21-13(2)17-5,22-14(3)18-6)10-8-7-9-15-11-19-15/h12-15H,7-11H2,1-6H3
InChIKeyDDFLYMNOOPVGSO-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.52
Rot. Bonds14

About tris(1-methoxyethoxy)-[4-(oxiran-2-yl)butyl]silane

tris(1-methoxyethoxy)-[4-(oxiran-2-yl)butyl]silane (PubChem CID 18508396) has the molecular formula C15H32O7Si and a molecular weight of 352.50 g/mol. Its IUPAC name is tris(1-methoxyethoxy)-[4-(oxiran-2-yl)butyl]silane.

Molecular Properties

Compound Nametris(1-methoxyethoxy)-[4-(oxiran-2-yl)butyl]silane
PubChem CID18508396
Molecular FormulaC15H32O7Si
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Nametris(1-methoxyethoxy)-[4-(oxiran-2-yl)butyl]silane
SMILESCOC(C)O[Si](CCCCC1CO1)(OC(C)OC)OC(C)OC
InChIInChI=1S/C15H32O7Si/c1-12(16-4)20-23(21-13(2)17-5,22-14(3)18-6)10-8-7-9-15-11-19-15/h12-15H,7-11H2,1-6H3
InChIKeyDDFLYMNOOPVGSO-UHFFFAOYSA-N
XLogP2.52
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

trimethoxy-[8-[(2R)-oxiran-2-yl]octyl]silane
CID 99865005
3-[tris(1-methoxyethoxy)silyl]propan-1-amine
CID 18398211
ethyl-[4-(oxiran-2-yl)butyl]-di(propan-2-yloxy)silane
CID 139808227
dimethoxy-methyl-[8-(oxiran-2-yl)octyl]silane
CID 18458414
2-(6,6-dimethoxyhexyl)oxirane
CID 22101928
trimethyl-[methyl-[4-(oxiran-2-yl)butyl]-trimethylsilyloxysilyl]oxysilane
CID 134968743
(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane
CID 92538674
butoxy-dimethoxy-[3-(oxiran-2-yl)propyl]silane
CID 175382377
bis[[tert-butyl(dimethyl)silyl]oxy]-methyl-[4-(oxiran-2-yl)butyl]silane
CID 87186466
2-decyloxirane;trimethoxy(oxiran-2-ylmethyl)silane
CID 87793683
(2R)-2-pentyloxirane
CID 11147691
methoxy-methyl-[6-(oxiran-2-yl)hexan-2-yloxy]-(trimethoxymethoxy)silane
CID 175057080

Frequently Asked Questions

What is the IUPAC name of tris(1-methoxyethoxy)-[4-(oxiran-2-yl)butyl]silane?
The IUPAC name of tris(1-methoxyethoxy)-[4-(oxiran-2-yl)butyl]silane (CID 18508396) is tris(1-methoxyethoxy)-[4-(oxiran-2-yl)butyl]silane.
What is the SMILES notation for tris(1-methoxyethoxy)-[4-(oxiran-2-yl)butyl]silane?
The canonical SMILES for tris(1-methoxyethoxy)-[4-(oxiran-2-yl)butyl]silane is COC(C)O[Si](CCCCC1CO1)(OC(C)OC)OC(C)OC.
What is the InChIKey of tris(1-methoxyethoxy)-[4-(oxiran-2-yl)butyl]silane?
The InChIKey is DDFLYMNOOPVGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O7Si/c1-12(16-4)20-23(21-13(2)17-5,22-14(3)18-6)10-8-7-9-15-11-19-15/h12-15H,7-11H2,1-6H3.
What are the key properties of tris(1-methoxyethoxy)-[4-(oxiran-2-yl)butyl]silane?
tris(1-methoxyethoxy)-[4-(oxiran-2-yl)butyl]silane has a molecular weight of 352.50 g/mol, XLogP of 2.52, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-methoxyethoxy)-[4-(oxiran-2-yl)butyl]silane is sourced from PubChem (CID 18508396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).