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

C15H24O5Si — CID 151603348

IUPACtrimethoxy-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane
SMILESCO[Si](CCCc1ccccc1OCC1CO1)(OC)OC
InChIInChI=1S/C15H24O5Si/c1-16-21(17-2,18-3)10-6-8-13-7-4-5-9-15(13)20-12-14-11-19-14/h4-5,7,9,14H,6,8,10-12H2,1-3H3
InChIKeyQKYMKMSXVPZFEU-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.27
Rot. Bonds10

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

trimethoxy-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane (PubChem CID 151603348) has the molecular formula C15H24O5Si and a molecular weight of 312.44 g/mol. Its IUPAC name is trimethoxy-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane.

Molecular Properties

Compound Nametrimethoxy-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane
PubChem CID151603348
Molecular FormulaC15H24O5Si
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Nametrimethoxy-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane
SMILESCO[Si](CCCc1ccccc1OCC1CO1)(OC)OC
InChIInChI=1S/C15H24O5Si/c1-16-21(17-2,18-3)10-6-8-13-7-4-5-9-15(13)20-12-14-11-19-14/h4-5,7,9,14H,6,8,10-12H2,1-3H3
InChIKeyQKYMKMSXVPZFEU-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

[dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane
CID 22168337
ethane;2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 158003640
trimethoxy-[3-[4-(oxiran-2-ylmethoxy)phenyl]propyl]silane
CID 139921283
2-[(2-non-8-enylphenoxy)methyl]oxirane
CID 101312578
2-[[2-[(E)-tridec-9-enyl]phenoxy]methyl]oxirane
CID 101312807
2-[[2-[(E)-octadec-12-enyl]phenoxy]methyl]oxirane
CID 101313228
2-[[2-[(E)-heptadec-11-enyl]phenoxy]methyl]oxirane
CID 101313131
trimethoxy-[2-(oxiran-2-ylmethoxy)phenyl]silane
CID 19099157
2-[(2,3-dibutylphenoxy)methyl]oxirane
CID 154323434
trimethoxy-[4-[4-(oxiran-2-ylmethoxy)phenyl]butyl]silane
CID 139921264
1-ethoxy-2-nonylbenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88512513
2-[[2-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
CID 134322112

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane?
The IUPAC name of trimethoxy-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane (CID 151603348) is trimethoxy-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane.
What is the SMILES notation for trimethoxy-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane?
The canonical SMILES for trimethoxy-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane is CO[Si](CCCc1ccccc1OCC1CO1)(OC)OC.
What is the InChIKey of trimethoxy-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane?
The InChIKey is QKYMKMSXVPZFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5Si/c1-16-21(17-2,18-3)10-6-8-13-7-4-5-9-15(13)20-12-14-11-19-14/h4-5,7,9,14H,6,8,10-12H2,1-3H3.
What are the key properties of trimethoxy-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane?
trimethoxy-[3-[2-(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-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane is sourced from PubChem (CID 151603348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).