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

C22H38O4Si2 — CID 14419243

IUPAC[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESC[Si](C)(CCCOCC1CO1)c1ccc([Si](C)(C)CCCOCC2CO2)cc1
InChIInChI=1S/C22H38O4Si2/c1-27(2,13-5-11-23-15-19-17-25-19)21-7-9-22(10-8-21)28(3,4)14-6-12-24-16-20-18-26-20/h7-10,19-20H,5-6,11-18H2,1-4H3
InChIKeyPEWAHDQMOPIBIS-UHFFFAOYSA-N
MW422.71 g/mol
LogP3.13
Rot. Bonds14

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

[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane (PubChem CID 14419243) has the molecular formula C22H38O4Si2 and a molecular weight of 422.71 g/mol. Its IUPAC name is [4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane.

Molecular Properties

Compound Name[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane
PubChem CID14419243
Molecular FormulaC22H38O4Si2
Molecular Weight422.71 g/mol
Exact Mass422.23
IUPAC Name[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESC[Si](C)(CCCOCC1CO1)c1ccc([Si](C)(C)CCCOCC2CO2)cc1
InChIInChI=1S/C22H38O4Si2/c1-27(2,13-5-11-23-15-19-17-25-19)21-7-9-22(10-8-21)28(3,4)14-6-12-24-16-20-18-26-20/h7-10,19-20H,5-6,11-18H2,1-4H3
InChIKeyPEWAHDQMOPIBIS-UHFFFAOYSA-N
XLogP3.13
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.71
LogP ≤ 53.13
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

1,7-bis[[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-ol
CID 162446231
hydroxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane
CID 101402997
dibutoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane
CID 139765356
diethoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane;silane
CID 157211120
3-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxypropoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 59202490
diethyl-methyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 139945217
methyl-[3-[[(2R)-oxiran-2-yl]methoxy]propyl]-di(propan-2-yloxy)silane
CID 150003668
methyl-bis[(2-methylpropan-2-yl)oxy]-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 139759531
tetrakis[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] silicate
CID 59734838
dimethyl-[3-[[(2R)-oxiran-2-yl]methoxy]propyl]-trimethylsilyloxysilane
CID 99864615
bis[[[[[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy]-dimethylsilane
CID 88854641
[acetyloxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] acetate
CID 22292670

Frequently Asked Questions

What is the IUPAC name of [4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane?
The IUPAC name of [4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane (CID 14419243) is [4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane.
What is the SMILES notation for [4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane?
The canonical SMILES for [4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane is C[Si](C)(CCCOCC1CO1)c1ccc([Si](C)(C)CCCOCC2CO2)cc1.
What is the InChIKey of [4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane?
The InChIKey is PEWAHDQMOPIBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O4Si2/c1-27(2,13-5-11-23-15-19-17-25-19)21-7-9-22(10-8-21)28(3,4)14-6-12-24-16-20-18-26-20/h7-10,19-20H,5-6,11-18H2,1-4H3.
What are the key properties of [4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane?
[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane has a molecular weight of 422.71 g/mol, XLogP of 3.13, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane is sourced from PubChem (CID 14419243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).