[(E)-2-(phenylmethoxymethyl)but-2-enoxy]-tri(propan-2-yl)silane

C21H36O2Si — CID 102420728

IUPAC[(E)-2-(phenylmethoxymethyl)but-2-enoxy]-tri(propan-2-yl)silane
SMILESC/C=C(\COCc1ccccc1)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H36O2Si/c1-8-20(14-22-15-21-12-10-9-11-13-21)16-23-24(17(2)3,18(4)5)19(6)7/h8-13,17-19H,14-16H2,1-7H3/b20-8+
InChIKeyVXLUOLSLQFMOPM-DNTJNYDQSA-N
MW348.60 g/mol
LogP6.34
Rot. Bonds10

About [(E)-2-(phenylmethoxymethyl)but-2-enoxy]-tri(propan-2-yl)silane

[(E)-2-(phenylmethoxymethyl)but-2-enoxy]-tri(propan-2-yl)silane (PubChem CID 102420728) has the molecular formula C21H36O2Si and a molecular weight of 348.60 g/mol. Its IUPAC name is [(E)-2-(phenylmethoxymethyl)but-2-enoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E)-2-(phenylmethoxymethyl)but-2-enoxy]-tri(propan-2-yl)silane
PubChem CID102420728
Molecular FormulaC21H36O2Si
Molecular Weight348.60 g/mol
Exact Mass348.25
IUPAC Name[(E)-2-(phenylmethoxymethyl)but-2-enoxy]-tri(propan-2-yl)silane
SMILESC/C=C(\COCc1ccccc1)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H36O2Si/c1-8-20(14-22-15-21-12-10-9-11-13-21)16-23-24(17(2)3,18(4)5)19(6)7/h8-13,17-19H,14-16H2,1-7H3/b20-8+
InChIKeyVXLUOLSLQFMOPM-DNTJNYDQSA-N
XLogP6.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.60
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-4-phenylmethoxybut-2-en-1-ol
CID 11057242
(2R,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enoxy]oxan-3-ol
CID 10930539
3-methyl-1-phenylmethoxybutan-2-one
CID 22953611
[(E,2R)-2-(methoxymethoxy)-2-methyl-5-phenylmethoxypent-3-enoxy]-tri(propan-2-yl)silane
CID 11362234
benzyl (2S)-2-amino-3-tri(propan-2-yl)silyloxypropanoate
CID 10089317
tri(propan-2-yl)-[(2E,6E,10E)-2,6,10-trimethyl-12-phenyldodeca-2,6,10-trienoxy]silane
CID 89432026
2-methylidenebut-3-enoxymethylbenzene
CID 11275317
2-(phenylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074338
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
phosphane;triphenyl-[[4-[tri(propan-2-yl)silyloxymethyl]phenyl]methyl]phosphanium;bromide
CID 174764282
[4-phenylmethoxy-3-(phenylmethoxymethyl)but-2-enyl] acetate
CID 15450715
benzyl 2-methyl-3-oxo-4-phenylmethoxybutanoate
CID 11045191

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(phenylmethoxymethyl)but-2-enoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(E)-2-(phenylmethoxymethyl)but-2-enoxy]-tri(propan-2-yl)silane (CID 102420728) is [(E)-2-(phenylmethoxymethyl)but-2-enoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(E)-2-(phenylmethoxymethyl)but-2-enoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(E)-2-(phenylmethoxymethyl)but-2-enoxy]-tri(propan-2-yl)silane is C/C=C(\COCc1ccccc1)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(E)-2-(phenylmethoxymethyl)but-2-enoxy]-tri(propan-2-yl)silane?
The InChIKey is VXLUOLSLQFMOPM-DNTJNYDQSA-N. The full InChI is InChI=1S/C21H36O2Si/c1-8-20(14-22-15-21-12-10-9-11-13-21)16-23-24(17(2)3,18(4)5)19(6)7/h8-13,17-19H,14-16H2,1-7H3/b20-8+.
What are the key properties of [(E)-2-(phenylmethoxymethyl)but-2-enoxy]-tri(propan-2-yl)silane?
[(E)-2-(phenylmethoxymethyl)but-2-enoxy]-tri(propan-2-yl)silane has a molecular weight of 348.60 g/mol, XLogP of 6.34, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(phenylmethoxymethyl)but-2-enoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 102420728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).