trimethoxy-[4-[4-(oxiran-2-ylmethoxy)phenyl]butyl]silane

C16H26O5Si — CID 139921264

IUPACtrimethoxy-[4-[4-(oxiran-2-ylmethoxy)phenyl]butyl]silane
SMILESCO[Si](CCCCc1ccc(OCC2CO2)cc1)(OC)OC
InChIInChI=1S/C16H26O5Si/c1-17-22(18-2,19-3)11-5-4-6-14-7-9-15(10-8-14)20-12-16-13-21-16/h7-10,16H,4-6,11-13H2,1-3H3
InChIKeyWQDHLWYSJPGAJM-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.66
Rot. Bonds11

About trimethoxy-[4-[4-(oxiran-2-ylmethoxy)phenyl]butyl]silane

trimethoxy-[4-[4-(oxiran-2-ylmethoxy)phenyl]butyl]silane (PubChem CID 139921264) has the molecular formula C16H26O5Si and a molecular weight of 326.46 g/mol. Its IUPAC name is trimethoxy-[4-[4-(oxiran-2-ylmethoxy)phenyl]butyl]silane.

Molecular Properties

Compound Nametrimethoxy-[4-[4-(oxiran-2-ylmethoxy)phenyl]butyl]silane
PubChem CID139921264
Molecular FormulaC16H26O5Si
Molecular Weight326.46 g/mol
Exact Mass326.15
IUPAC Nametrimethoxy-[4-[4-(oxiran-2-ylmethoxy)phenyl]butyl]silane
SMILESCO[Si](CCCCc1ccc(OCC2CO2)cc1)(OC)OC
InChIInChI=1S/C16H26O5Si/c1-17-22(18-2,19-3)11-5-4-6-14-7-9-15(10-8-14)20-12-16-13-21-16/h7-10,16H,4-6,11-13H2,1-3H3
InChIKeyWQDHLWYSJPGAJM-UHFFFAOYSA-N
XLogP2.66
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.66
H-Bond Donors ≤ 50
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

trimethoxy-[3-[4-(oxiran-2-ylmethoxy)phenyl]propyl]silane
CID 139921283
2-[(4-decylphenoxy)methyl]oxirane
CID 57169854
2-[[4-[(E)-octadec-15-enyl]phenoxy]methyl]oxirane
CID 101313265
2-[[4-[(E)-pentadec-13-enyl]phenoxy]methyl]oxirane
CID 101312987
2-[(4-hept-6-enylphenoxy)methyl]oxirane
CID 101312510
2-[[4-[(E)-heptadec-11-enyl]phenoxy]methyl]oxirane
CID 101313163
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
4-[4-(oxiran-2-ylmethoxy)phenyl]butanoic acid
CID 175189091
ethane;2-[(4-ethylphenoxy)methyl]oxirane
CID 156746927
2-[4-(oxiran-2-ylmethoxy)phenyl]ethyl-tritritiosilane
CID 140880612
trimethoxy-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane
CID 151603348
CID 59015330
CID 59015330

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[4-[4-(oxiran-2-ylmethoxy)phenyl]butyl]silane?
The IUPAC name of trimethoxy-[4-[4-(oxiran-2-ylmethoxy)phenyl]butyl]silane (CID 139921264) is trimethoxy-[4-[4-(oxiran-2-ylmethoxy)phenyl]butyl]silane.
What is the SMILES notation for trimethoxy-[4-[4-(oxiran-2-ylmethoxy)phenyl]butyl]silane?
The canonical SMILES for trimethoxy-[4-[4-(oxiran-2-ylmethoxy)phenyl]butyl]silane is CO[Si](CCCCc1ccc(OCC2CO2)cc1)(OC)OC.
What is the InChIKey of trimethoxy-[4-[4-(oxiran-2-ylmethoxy)phenyl]butyl]silane?
The InChIKey is WQDHLWYSJPGAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O5Si/c1-17-22(18-2,19-3)11-5-4-6-14-7-9-15(10-8-14)20-12-16-13-21-16/h7-10,16H,4-6,11-13H2,1-3H3.
What are the key properties of trimethoxy-[4-[4-(oxiran-2-ylmethoxy)phenyl]butyl]silane?
trimethoxy-[4-[4-(oxiran-2-ylmethoxy)phenyl]butyl]silane has a molecular weight of 326.46 g/mol, XLogP of 2.66, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[4-[4-(oxiran-2-ylmethoxy)phenyl]butyl]silane is sourced from PubChem (CID 139921264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).