trimethoxy-[3-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)propyl]silane

C21H28O5Si — CID 164816198

IUPACtrimethoxy-[3-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)propyl]silane
SMILESCO[Si](CCCc1ccc2c(c1)COC(C)(c1ccccc1)O2)(OC)OC
InChIInChI=1S/C21H28O5Si/c1-21(19-10-6-5-7-11-19)25-16-18-15-17(12-13-20(18)26-21)9-8-14-27(22-2,23-3)24-4/h5-7,10-13,15H,8-9,14,16H2,1-4H3
InChIKeyNCKMORNIDFMUBN-UHFFFAOYSA-N
MW388.54 g/mol
LogP4.28
Rot. Bonds8

About trimethoxy-[3-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)propyl]silane

trimethoxy-[3-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)propyl]silane (PubChem CID 164816198) has the molecular formula C21H28O5Si and a molecular weight of 388.54 g/mol. Its IUPAC name is trimethoxy-[3-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)propyl]silane.

Molecular Properties

Compound Nametrimethoxy-[3-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)propyl]silane
PubChem CID164816198
Molecular FormulaC21H28O5Si
Molecular Weight388.54 g/mol
Exact Mass388.17
IUPAC Nametrimethoxy-[3-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)propyl]silane
SMILESCO[Si](CCCc1ccc2c(c1)COC(C)(c1ccccc1)O2)(OC)OC
InChIInChI=1S/C21H28O5Si/c1-21(19-10-6-5-7-11-19)25-16-18-15-17(12-13-20(18)26-21)9-8-14-27(22-2,23-3)24-4/h5-7,10-13,15H,8-9,14,16H2,1-4H3
InChIKeyNCKMORNIDFMUBN-UHFFFAOYSA-N
XLogP4.28
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 54.28
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

[diacetyloxy-[3-[(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)oxy]propyl]silyl] acetate
CID 164816467
[diacetyloxy-[2-(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)ethyl]silyl] acetate;[diacetyloxy-[2-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)ethyl]silyl] acetate;2-(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)ethyl-triethoxysilane;2-(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)ethyl-trimethoxysilane;trichloro-[2-(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)ethyl]silane;trichloro-[2-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)ethyl]silane;triethoxy-[2-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)ethyl]silane;trimethoxy-[2-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)ethyl]silane
CID 165031551
3-[(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)oxy]propyl-trimethoxysilane
CID 164816375
trichloro-[3-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)propyl]silane
CID 164815662
3-(2,2-diphenyl-4H-1,3,2-benzodioxasilin-6-yl)propyl-triethoxysilane
CID 164816168
2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl-trimethoxysilane
CID 170900368
trimethoxy(12-phenyldodecyl)silane
CID 54325157
(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)-dimethoxysilane
CID 164815992
5-(2,2-dimethyl-3H-1-benzofuran-5-yl)pentan-1-amine
CID 65305870
[diacetyloxy-[2-(2,2-diphenyl-4H-1,3,2-benzodioxasilin-6-yl)ethyl]silyl] acetate
CID 164816174
(1R)-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-[2-[4-(2-phenylmethoxyethoxymethyl)phenyl]ethylamino]ethanol
CID 69438540
2-[6-(4-cyclohexa-1,5-dien-1-ylbutoxy)hexyl-[2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethyl]amino]ethanol
CID 142101512

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[3-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)propyl]silane?
The IUPAC name of trimethoxy-[3-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)propyl]silane (CID 164816198) is trimethoxy-[3-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)propyl]silane.
What is the SMILES notation for trimethoxy-[3-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)propyl]silane?
The canonical SMILES for trimethoxy-[3-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)propyl]silane is CO[Si](CCCc1ccc2c(c1)COC(C)(c1ccccc1)O2)(OC)OC.
What is the InChIKey of trimethoxy-[3-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)propyl]silane?
The InChIKey is NCKMORNIDFMUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O5Si/c1-21(19-10-6-5-7-11-19)25-16-18-15-17(12-13-20(18)26-21)9-8-14-27(22-2,23-3)24-4/h5-7,10-13,15H,8-9,14,16H2,1-4H3.
What are the key properties of trimethoxy-[3-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)propyl]silane?
trimethoxy-[3-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)propyl]silane has a molecular weight of 388.54 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[3-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)propyl]silane is sourced from PubChem (CID 164816198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).