trimethoxy-[3-[4-(oxiran-2-ylmethoxy)phenyl]propyl]silane

C15H24O5Si — CID 139921283

IUPACtrimethoxy-[3-[4-(oxiran-2-ylmethoxy)phenyl]propyl]silane
SMILESCO[Si](CCCc1ccc(OCC2CO2)cc1)(OC)OC
InChIInChI=1S/C15H24O5Si/c1-16-21(17-2,18-3)10-4-5-13-6-8-14(9-7-13)19-11-15-12-20-15/h6-9,15H,4-5,10-12H2,1-3H3
InChIKeyHLTOIXDFPWVDMH-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.27
Rot. Bonds10

About trimethoxy-[3-[4-(oxiran-2-ylmethoxy)phenyl]propyl]silane

trimethoxy-[3-[4-(oxiran-2-ylmethoxy)phenyl]propyl]silane (PubChem CID 139921283) has the molecular formula C15H24O5Si and a molecular weight of 312.44 g/mol. Its IUPAC name is trimethoxy-[3-[4-(oxiran-2-ylmethoxy)phenyl]propyl]silane.

Molecular Properties

Compound Nametrimethoxy-[3-[4-(oxiran-2-ylmethoxy)phenyl]propyl]silane
PubChem CID139921283
Molecular FormulaC15H24O5Si
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Nametrimethoxy-[3-[4-(oxiran-2-ylmethoxy)phenyl]propyl]silane
SMILESCO[Si](CCCc1ccc(OCC2CO2)cc1)(OC)OC
InChIInChI=1S/C15H24O5Si/c1-16-21(17-2,18-3)10-4-5-13-6-8-14(9-7-13)19-11-15-12-20-15/h6-9,15H,4-5,10-12H2,1-3H3
InChIKeyHLTOIXDFPWVDMH-UHFFFAOYSA-N
XLogP2.27
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

trimethoxy-[4-[4-(oxiran-2-ylmethoxy)phenyl]butyl]silane
CID 139921264
2-[(4-decylphenoxy)methyl]oxirane
CID 57169854
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
trimethoxy-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane
CID 151603348
4-[4-(oxiran-2-ylmethoxy)phenyl]butanoic acid
CID 175189091
2-[[4-[(E)-octadec-15-enyl]phenoxy]methyl]oxirane
CID 101313265
2-[[4-[(E)-pentadec-13-enyl]phenoxy]methyl]oxirane
CID 101312987
ethane;2-[(4-ethylphenoxy)methyl]oxirane
CID 156746927
2-[(4-hept-6-enylphenoxy)methyl]oxirane
CID 101312510
2-[[4-[(E)-heptadec-11-enyl]phenoxy]methyl]oxirane
CID 101313163
2-[4-(oxiran-2-ylmethoxy)phenyl]ethyl-tritritiosilane
CID 140880612
CID 59015330
CID 59015330

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[3-[4-(oxiran-2-ylmethoxy)phenyl]propyl]silane?
The IUPAC name of trimethoxy-[3-[4-(oxiran-2-ylmethoxy)phenyl]propyl]silane (CID 139921283) is trimethoxy-[3-[4-(oxiran-2-ylmethoxy)phenyl]propyl]silane.
What is the SMILES notation for trimethoxy-[3-[4-(oxiran-2-ylmethoxy)phenyl]propyl]silane?
The canonical SMILES for trimethoxy-[3-[4-(oxiran-2-ylmethoxy)phenyl]propyl]silane is CO[Si](CCCc1ccc(OCC2CO2)cc1)(OC)OC.
What is the InChIKey of trimethoxy-[3-[4-(oxiran-2-ylmethoxy)phenyl]propyl]silane?
The InChIKey is HLTOIXDFPWVDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5Si/c1-16-21(17-2,18-3)10-4-5-13-6-8-14(9-7-13)19-11-15-12-20-15/h6-9,15H,4-5,10-12H2,1-3H3.
What are the key properties of trimethoxy-[3-[4-(oxiran-2-ylmethoxy)phenyl]propyl]silane?
trimethoxy-[3-[4-(oxiran-2-ylmethoxy)phenyl]propyl]silane has a molecular weight of 312.44 g/mol, XLogP of 2.27, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[3-[4-(oxiran-2-ylmethoxy)phenyl]propyl]silane is sourced from PubChem (CID 139921283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).