[4-[dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silyl]phenyl]-dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silane

C24H42O4Si2 — CID 101222737

IUPAC[4-[dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silyl]phenyl]-dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silane
SMILESCC1(COCCC[Si](C)(C)c2ccc([Si](C)(C)CCCOCC3(C)CO3)cc2)CO1
InChIInChI=1S/C24H42O4Si2/c1-23(19-27-23)17-25-13-7-15-29(3,4)21-9-11-22(12-10-21)30(5,6)16-8-14-26-18-24(2)20-28-24/h9-12H,7-8,13-20H2,1-6H3
InChIKeyULINHNQMOOPKSA-UHFFFAOYSA-N
MW450.77 g/mol
LogP3.91
Rot. Bonds14

About [4-[dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silyl]phenyl]-dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silane

[4-[dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silyl]phenyl]-dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silane (PubChem CID 101222737) has the molecular formula C24H42O4Si2 and a molecular weight of 450.77 g/mol. Its IUPAC name is [4-[dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silyl]phenyl]-dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silane.

Molecular Properties

Compound Name[4-[dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silyl]phenyl]-dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silane
PubChem CID101222737
Molecular FormulaC24H42O4Si2
Molecular Weight450.77 g/mol
Exact Mass450.26
IUPAC Name[4-[dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silyl]phenyl]-dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silane
SMILESCC1(COCCC[Si](C)(C)c2ccc([Si](C)(C)CCCOCC3(C)CO3)cc2)CO1
InChIInChI=1S/C24H42O4Si2/c1-23(19-27-23)17-25-13-7-15-29(3,4)21-9-11-22(12-10-21)30(5,6)16-8-14-26-18-24(2)20-28-24/h9-12H,7-8,13-20H2,1-6H3
InChIKeyULINHNQMOOPKSA-UHFFFAOYSA-N
XLogP3.91
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.77
LogP ≤ 53.91
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

Trimethoxy(methyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy(phenyl)silane
CID 170853373
1,5-Bis(glycidoxypropyl)-3-phenyl-1,1,3,5,5-pentamethyltrisiloxane
CID 57354896
Dimethyl-(oxiran-2-ylmethoxy)-phenylsilane
CID 85792783
Triethoxy(phenyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 87370600
Trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy(phenyl)silane
CID 177717800
1,4-Phenylenebis(dimethyl(3-(oxiranylmethylene)propyl)silane)
CID 14419243
3-((Dimethyl(3-(oxiran-2-ylmethoxy)propyl)silyl)oxy)-1,1,5,5-tetramethyl-1,5-bis(3-(oxiran-2-ylmethoxy)propyl)-3-phenyltrisiloxane
CID 51347821
[4-[Dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane
CID 162446217
[4-[Dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[7-[[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethylsilyl]-4-fluoro-4-methylheptyl]-dimethylsilane
CID 174150380
[(2S,3S)-3-(methoxymethyl)oxiran-2-yl]-dimethyl-phenylsilane
CID 101342643
1-(gamma-Dimethylphenylsilylallyloxy)-2-glycidyloxy-propane
CID 129771151
[(2R,3S)-3-(methoxymethyl)oxiran-2-yl]-dimethyl-phenylsilane
CID 134967020

Frequently Asked Questions

What is the IUPAC name of [4-[dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silyl]phenyl]-dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silane?
The IUPAC name of [4-[dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silyl]phenyl]-dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silane (CID 101222737) is [4-[dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silyl]phenyl]-dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silane.
What is the SMILES notation for [4-[dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silyl]phenyl]-dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silane?
The canonical SMILES for [4-[dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silyl]phenyl]-dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silane is CC1(COCCC[Si](C)(C)c2ccc([Si](C)(C)CCCOCC3(C)CO3)cc2)CO1.
What is the InChIKey of [4-[dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silyl]phenyl]-dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silane?
The InChIKey is ULINHNQMOOPKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O4Si2/c1-23(19-27-23)17-25-13-7-15-29(3,4)21-9-11-22(12-10-21)30(5,6)16-8-14-26-18-24(2)20-28-24/h9-12H,7-8,13-20H2,1-6H3.
What are the key properties of [4-[dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silyl]phenyl]-dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silane?
[4-[dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silyl]phenyl]-dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silane has a molecular weight of 450.77 g/mol, XLogP of 3.91, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silyl]phenyl]-dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silane is sourced from PubChem (CID 101222737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).