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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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).