trimethyl-[1-phenoxy-3-(3-phenoxy-3-phenyl-2-trimethylsilyloxypropoxy)-1-phenylpropan-2-yl]oxysilane

C36H46O5Si2 — CID 139719240

IUPACtrimethyl-[1-phenoxy-3-(3-phenoxy-3-phenyl-2-trimethylsilyloxypropoxy)-1-phenylpropan-2-yl]oxysilane
SMILESC[Si](C)(C)OC(COCC(O[Si](C)(C)C)C(Oc1ccccc1)c1ccccc1)C(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C36H46O5Si2/c1-42(2,3)40-33(35(29-19-11-7-12-20-29)38-31-23-15-9-16-24-31)27-37-28-34(41-43(4,5)6)36(30-21-13-8-14-22-30)39-32-25-17-10-18-26-32/h7-26,33-36H,27-28H2,1-6H3
InChIKeyYIYLKICGTNXQFZ-UHFFFAOYSA-N
MW614.93 g/mol
LogP9.08
Rot. Bonds16

About trimethyl-[1-phenoxy-3-(3-phenoxy-3-phenyl-2-trimethylsilyloxypropoxy)-1-phenylpropan-2-yl]oxysilane

trimethyl-[1-phenoxy-3-(3-phenoxy-3-phenyl-2-trimethylsilyloxypropoxy)-1-phenylpropan-2-yl]oxysilane (PubChem CID 139719240) has the molecular formula C36H46O5Si2 and a molecular weight of 614.93 g/mol. Its IUPAC name is trimethyl-[1-phenoxy-3-(3-phenoxy-3-phenyl-2-trimethylsilyloxypropoxy)-1-phenylpropan-2-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[1-phenoxy-3-(3-phenoxy-3-phenyl-2-trimethylsilyloxypropoxy)-1-phenylpropan-2-yl]oxysilane
PubChem CID139719240
Molecular FormulaC36H46O5Si2
Molecular Weight614.93 g/mol
Exact Mass614.29
IUPAC Nametrimethyl-[1-phenoxy-3-(3-phenoxy-3-phenyl-2-trimethylsilyloxypropoxy)-1-phenylpropan-2-yl]oxysilane
SMILESC[Si](C)(C)OC(COCC(O[Si](C)(C)C)C(Oc1ccccc1)c1ccccc1)C(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C36H46O5Si2/c1-42(2,3)40-33(35(29-19-11-7-12-20-29)38-31-23-15-9-16-24-31)27-37-28-34(41-43(4,5)6)36(30-21-13-8-14-22-30)39-32-25-17-10-18-26-32/h7-26,33-36H,27-28H2,1-6H3
InChIKeyYIYLKICGTNXQFZ-UHFFFAOYSA-N
XLogP9.08
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.93
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl-[(1S,2S)-2-[methyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 102172480
trimethyl(1-phenylethoxy)silane
CID 519015
[(1R)-2,2-dimethyl-1-phenylpropoxy]-trimethylsilane
CID 101471174
3-(methylamino)-1-phenoxy-1-phenylpropan-2-ol
CID 23458382
N-benzyl-1-phenoxy-1-phenylpropan-2-amine;hydrochloride
CID 117068240
(1S,2S)-N-methyl-1-phenyl-N-trimethylsilyl-1-trimethylsilyloxypropan-2-amine
CID 102239963
[(2R,3R)-4-benzoyloxy-2,3-bis(trimethylsilyloxy)butyl] benzoate
CID 67190343
2-phenoxy-1-phenylbutan-1-amine
CID 43211594
butyl-dimethyl-(2-phenoxy-2-phenylethoxy)silane
CID 175703714
triphenyl-[2-[phenyl(trimethylsilyloxy)methyl]butyl]phosphanium iodide
CID 18942081
methyl (2R)-2-[(R)-phenyl(trimethylsilyloxy)methyl]pent-4-enoate
CID 101058397
(1R,2S)-1-(4-methoxyphenoxy)-1-phenylpropan-2-ol
CID 135066400

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-phenoxy-3-(3-phenoxy-3-phenyl-2-trimethylsilyloxypropoxy)-1-phenylpropan-2-yl]oxysilane?
The IUPAC name of trimethyl-[1-phenoxy-3-(3-phenoxy-3-phenyl-2-trimethylsilyloxypropoxy)-1-phenylpropan-2-yl]oxysilane (CID 139719240) is trimethyl-[1-phenoxy-3-(3-phenoxy-3-phenyl-2-trimethylsilyloxypropoxy)-1-phenylpropan-2-yl]oxysilane.
What is the SMILES notation for trimethyl-[1-phenoxy-3-(3-phenoxy-3-phenyl-2-trimethylsilyloxypropoxy)-1-phenylpropan-2-yl]oxysilane?
The canonical SMILES for trimethyl-[1-phenoxy-3-(3-phenoxy-3-phenyl-2-trimethylsilyloxypropoxy)-1-phenylpropan-2-yl]oxysilane is C[Si](C)(C)OC(COCC(O[Si](C)(C)C)C(Oc1ccccc1)c1ccccc1)C(Oc1ccccc1)c1ccccc1.
What is the InChIKey of trimethyl-[1-phenoxy-3-(3-phenoxy-3-phenyl-2-trimethylsilyloxypropoxy)-1-phenylpropan-2-yl]oxysilane?
The InChIKey is YIYLKICGTNXQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H46O5Si2/c1-42(2,3)40-33(35(29-19-11-7-12-20-29)38-31-23-15-9-16-24-31)27-37-28-34(41-43(4,5)6)36(30-21-13-8-14-22-30)39-32-25-17-10-18-26-32/h7-26,33-36H,27-28H2,1-6H3.
What are the key properties of trimethyl-[1-phenoxy-3-(3-phenoxy-3-phenyl-2-trimethylsilyloxypropoxy)-1-phenylpropan-2-yl]oxysilane?
trimethyl-[1-phenoxy-3-(3-phenoxy-3-phenyl-2-trimethylsilyloxypropoxy)-1-phenylpropan-2-yl]oxysilane has a molecular weight of 614.93 g/mol, XLogP of 9.08, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-phenoxy-3-(3-phenoxy-3-phenyl-2-trimethylsilyloxypropoxy)-1-phenylpropan-2-yl]oxysilane is sourced from PubChem (CID 139719240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).