diethoxy-methyl-[15-(oxiran-2-ylmethoxy)pentadecyl]silane

C23H48O4Si — CID 156812550

IUPACdiethoxy-methyl-[15-(oxiran-2-ylmethoxy)pentadecyl]silane
SMILESCCO[Si](C)(CCCCCCCCCCCCCCCOCC1CO1)OCC
InChIInChI=1S/C23H48O4Si/c1-4-26-28(3,27-5-2)20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-24-21-23-22-25-23/h23H,4-22H2,1-3H3
InChIKeyGSHIYEBTUHBBSV-UHFFFAOYSA-N
MW416.72 g/mol
LogP6.62
Rot. Bonds22

About diethoxy-methyl-[15-(oxiran-2-ylmethoxy)pentadecyl]silane

diethoxy-methyl-[15-(oxiran-2-ylmethoxy)pentadecyl]silane (PubChem CID 156812550) has the molecular formula C23H48O4Si and a molecular weight of 416.72 g/mol. Its IUPAC name is diethoxy-methyl-[15-(oxiran-2-ylmethoxy)pentadecyl]silane.

Molecular Properties

Compound Namediethoxy-methyl-[15-(oxiran-2-ylmethoxy)pentadecyl]silane
PubChem CID156812550
Molecular FormulaC23H48O4Si
Molecular Weight416.72 g/mol
Exact Mass416.33
IUPAC Namediethoxy-methyl-[15-(oxiran-2-ylmethoxy)pentadecyl]silane
SMILESCCO[Si](C)(CCCCCCCCCCCCCCCOCC1CO1)OCC
InChIInChI=1S/C23H48O4Si/c1-4-26-28(3,27-5-2)20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-24-21-23-22-25-23/h23H,4-22H2,1-3H3
InChIKeyGSHIYEBTUHBBSV-UHFFFAOYSA-N
XLogP6.62
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.72
LogP ≤ 56.62
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

diethoxy-methyl-[8-(oxetan-2-ylmethoxy)octyl]silane
CID 150645245
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
(2S)-2-(octoxymethyl)oxirane
CID 87274801
dimethyl-octyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 163299953
2-(pentoxymethyl)oxirane
CID 160890113
bis(diethoxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]silane);dimethoxy-methyl-[4-(oxiran-2-yl)butyl]silane;dimethoxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]silane;[dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silyl]methanol;formaldehyde
CID 159526903
diethyl methyl 3-(oxiran-2-ylmethoxy)propyl silicate
CID 175592610
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668

Frequently Asked Questions

What is the IUPAC name of diethoxy-methyl-[15-(oxiran-2-ylmethoxy)pentadecyl]silane?
The IUPAC name of diethoxy-methyl-[15-(oxiran-2-ylmethoxy)pentadecyl]silane (CID 156812550) is diethoxy-methyl-[15-(oxiran-2-ylmethoxy)pentadecyl]silane.
What is the SMILES notation for diethoxy-methyl-[15-(oxiran-2-ylmethoxy)pentadecyl]silane?
The canonical SMILES for diethoxy-methyl-[15-(oxiran-2-ylmethoxy)pentadecyl]silane is CCO[Si](C)(CCCCCCCCCCCCCCCOCC1CO1)OCC.
What is the InChIKey of diethoxy-methyl-[15-(oxiran-2-ylmethoxy)pentadecyl]silane?
The InChIKey is GSHIYEBTUHBBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O4Si/c1-4-26-28(3,27-5-2)20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-24-21-23-22-25-23/h23H,4-22H2,1-3H3.
What are the key properties of diethoxy-methyl-[15-(oxiran-2-ylmethoxy)pentadecyl]silane?
diethoxy-methyl-[15-(oxiran-2-ylmethoxy)pentadecyl]silane has a molecular weight of 416.72 g/mol, XLogP of 6.62, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-methyl-[15-(oxiran-2-ylmethoxy)pentadecyl]silane is sourced from PubChem (CID 156812550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).