2-[4-(oxiran-2-ylmethoxy)phenyl]ethyl-tritritiosilane

C11H16O2Si — CID 140880612

IUPAC2-[4-(oxiran-2-ylmethoxy)phenyl]ethyl-tritritiosilane
SMILES[3H][Si]([3H])([3H])CCc1ccc(OCC2CO2)cc1
InChIInChI=1S/C11H16O2Si/c14-6-5-9-1-3-10(4-2-9)12-7-11-8-13-11/h1-4,11H,5-8H2,14H3/i14T3
InChIKeyOUTLBSFLICLVKP-ZPHUVEBSSA-N
MW214.36 g/mol
LogP0.79
Rot. Bonds6

About 2-[4-(oxiran-2-ylmethoxy)phenyl]ethyl-tritritiosilane

2-[4-(oxiran-2-ylmethoxy)phenyl]ethyl-tritritiosilane (PubChem CID 140880612) has the molecular formula C11H16O2Si and a molecular weight of 214.36 g/mol. Its IUPAC name is 2-[4-(oxiran-2-ylmethoxy)phenyl]ethyl-tritritiosilane.

Molecular Properties

Compound Name2-[4-(oxiran-2-ylmethoxy)phenyl]ethyl-tritritiosilane
PubChem CID140880612
Molecular FormulaC11H16O2Si
Molecular Weight214.36 g/mol
Exact Mass214.12
IUPAC Name2-[4-(oxiran-2-ylmethoxy)phenyl]ethyl-tritritiosilane
SMILES[3H][Si]([3H])([3H])CCc1ccc(OCC2CO2)cc1
InChIInChI=1S/C11H16O2Si/c14-6-5-9-1-3-10(4-2-9)12-7-11-8-13-11/h1-4,11H,5-8H2,14H3/i14T3
InChIKeyOUTLBSFLICLVKP-ZPHUVEBSSA-N
XLogP0.79
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
CID 59015330
CID 59015330
4-(oxiran-2-ylmethoxy)-N-[4-(oxiran-2-ylmethoxy)phenyl]-N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]aniline
CID 163586809
2-[(4-decylphenoxy)methyl]oxirane
CID 57169854
2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 86030430
ethane;2-[(4-ethylphenoxy)methyl]oxirane
CID 156746927
trimethoxy-[3-[4-(oxiran-2-ylmethoxy)phenyl]propyl]silane
CID 139921283
4-[4-(oxiran-2-ylmethoxy)phenyl]butanoic acid
CID 175189091
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
bis[4-(oxiran-2-ylmethoxy)phenyl]diazene
CID 4055525
2-[(4-hept-6-enylphenoxy)methyl]oxirane
CID 101312510
trimethoxy-[4-[4-(oxiran-2-ylmethoxy)phenyl]butyl]silane
CID 139921264

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxiran-2-ylmethoxy)phenyl]ethyl-tritritiosilane?
The IUPAC name of 2-[4-(oxiran-2-ylmethoxy)phenyl]ethyl-tritritiosilane (CID 140880612) is 2-[4-(oxiran-2-ylmethoxy)phenyl]ethyl-tritritiosilane.
What is the SMILES notation for 2-[4-(oxiran-2-ylmethoxy)phenyl]ethyl-tritritiosilane?
The canonical SMILES for 2-[4-(oxiran-2-ylmethoxy)phenyl]ethyl-tritritiosilane is [3H][Si]([3H])([3H])CCc1ccc(OCC2CO2)cc1.
What is the InChIKey of 2-[4-(oxiran-2-ylmethoxy)phenyl]ethyl-tritritiosilane?
The InChIKey is OUTLBSFLICLVKP-ZPHUVEBSSA-N. The full InChI is InChI=1S/C11H16O2Si/c14-6-5-9-1-3-10(4-2-9)12-7-11-8-13-11/h1-4,11H,5-8H2,14H3/i14T3.
What are the key properties of 2-[4-(oxiran-2-ylmethoxy)phenyl]ethyl-tritritiosilane?
2-[4-(oxiran-2-ylmethoxy)phenyl]ethyl-tritritiosilane has a molecular weight of 214.36 g/mol, XLogP of 0.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxiran-2-ylmethoxy)phenyl]ethyl-tritritiosilane is sourced from PubChem (CID 140880612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).