dibutoxy-methyl-(oxiran-2-ylmethoxymethyl)silane

C13H28O4Si — CID 54372055

IUPACdibutoxy-methyl-(oxiran-2-ylmethoxymethyl)silane
SMILESCCCCO[Si](C)(COCC1CO1)OCCCC
InChIInChI=1S/C13H28O4Si/c1-4-6-8-16-18(3,17-9-7-5-2)12-14-10-13-11-15-13/h13H,4-12H2,1-3H3
InChIKeyUTXDUKWGAGBGKQ-UHFFFAOYSA-N
MW276.45 g/mol
LogP2.65
Rot. Bonds12

About dibutoxy-methyl-(oxiran-2-ylmethoxymethyl)silane

dibutoxy-methyl-(oxiran-2-ylmethoxymethyl)silane (PubChem CID 54372055) has the molecular formula C13H28O4Si and a molecular weight of 276.45 g/mol. Its IUPAC name is dibutoxy-methyl-(oxiran-2-ylmethoxymethyl)silane.

Molecular Properties

Compound Namedibutoxy-methyl-(oxiran-2-ylmethoxymethyl)silane
PubChem CID54372055
Molecular FormulaC13H28O4Si
Molecular Weight276.45 g/mol
Exact Mass276.18
IUPAC Namedibutoxy-methyl-(oxiran-2-ylmethoxymethyl)silane
SMILESCCCCO[Si](C)(COCC1CO1)OCCCC
InChIInChI=1S/C13H28O4Si/c1-4-6-8-16-18(3,17-9-7-5-2)12-14-10-13-11-15-13/h13H,4-12H2,1-3H3
InChIKeyUTXDUKWGAGBGKQ-UHFFFAOYSA-N
XLogP2.65
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 166063430
CID 166063430
2-(pentoxymethyl)oxirane
CID 160890113
dibutoxy-ethyl-[2-(oxiran-2-ylmethoxy)ethyl]silane
CID 21432023
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
dimethoxy-methyl-(oxiran-2-ylmethoxymethyl)silane;silane
CID 158228369
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-(propoxymethyl)oxirane
CID 18406
ethoxy-methyl-(oxiran-2-ylmethoxymethyl)-propan-2-yloxysilane
CID 175008742

Frequently Asked Questions

What is the IUPAC name of dibutoxy-methyl-(oxiran-2-ylmethoxymethyl)silane?
The IUPAC name of dibutoxy-methyl-(oxiran-2-ylmethoxymethyl)silane (CID 54372055) is dibutoxy-methyl-(oxiran-2-ylmethoxymethyl)silane.
What is the SMILES notation for dibutoxy-methyl-(oxiran-2-ylmethoxymethyl)silane?
The canonical SMILES for dibutoxy-methyl-(oxiran-2-ylmethoxymethyl)silane is CCCCO[Si](C)(COCC1CO1)OCCCC.
What is the InChIKey of dibutoxy-methyl-(oxiran-2-ylmethoxymethyl)silane?
The InChIKey is UTXDUKWGAGBGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4Si/c1-4-6-8-16-18(3,17-9-7-5-2)12-14-10-13-11-15-13/h13H,4-12H2,1-3H3.
What are the key properties of dibutoxy-methyl-(oxiran-2-ylmethoxymethyl)silane?
dibutoxy-methyl-(oxiran-2-ylmethoxymethyl)silane has a molecular weight of 276.45 g/mol, XLogP of 2.65, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy-methyl-(oxiran-2-ylmethoxymethyl)silane is sourced from PubChem (CID 54372055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).