1-[7-(2-triethoxysilylethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethanone

C18H28O6Si — CID 101477456

IUPAC1-[7-(2-triethoxysilylethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethanone
SMILESCCO[Si](CCc1cc2c(cc1C(C)=O)OCCO2)(OCC)OCC
InChIInChI=1S/C18H28O6Si/c1-5-22-25(23-6-2,24-7-3)11-8-15-12-17-18(21-10-9-20-17)13-16(15)14(4)19/h12-13H,5-11H2,1-4H3
InChIKeyDGCSRSXDBCIWHL-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.25
Rot. Bonds10

About 1-[7-(2-triethoxysilylethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethanone

1-[7-(2-triethoxysilylethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethanone (PubChem CID 101477456) has the molecular formula C18H28O6Si and a molecular weight of 368.50 g/mol. Its IUPAC name is 1-[7-(2-triethoxysilylethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethanone.

Molecular Properties

Compound Name1-[7-(2-triethoxysilylethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethanone
PubChem CID101477456
Molecular FormulaC18H28O6Si
Molecular Weight368.50 g/mol
Exact Mass368.17
IUPAC Name1-[7-(2-triethoxysilylethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethanone
SMILESCCO[Si](CCc1cc2c(cc1C(C)=O)OCCO2)(OCC)OCC
InChIInChI=1S/C18H28O6Si/c1-5-22-25(23-6-2,24-7-3)11-8-15-12-17-18(21-10-9-20-17)13-16(15)14(4)19/h12-13H,5-11H2,1-4H3
InChIKeyDGCSRSXDBCIWHL-UHFFFAOYSA-N
XLogP3.25
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]ethanone
CID 86185871
[2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-trimethylazanium
CID 3248088
ethyl 6-propyl-1,3-benzodioxole-5-carboxylate
CID 91664941
ethyl 4-cyano-2-(2-triethoxysilylethyl)benzoate
CID 101047421
1-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone
CID 83882748
ethyl 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-oxoacetate
CID 55017534
1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone
CID 2754504
[2-[[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)acetyl]oxymethyl]-3-triethoxysilylpropyl] 2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)acetate
CID 102242221
ethyl 9-amino-2,3,5,6-tetrahydro-1,4,7-benzotrioxonine-10-carboxylate
CID 138478950
ethyl 1-[2-[(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 146379906
7-methyl-N,N-dipropyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763715
2-amino-3-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
CID 117381037

Frequently Asked Questions

What is the IUPAC name of 1-[7-(2-triethoxysilylethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethanone?
The IUPAC name of 1-[7-(2-triethoxysilylethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethanone (CID 101477456) is 1-[7-(2-triethoxysilylethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethanone.
What is the SMILES notation for 1-[7-(2-triethoxysilylethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethanone?
The canonical SMILES for 1-[7-(2-triethoxysilylethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethanone is CCO[Si](CCc1cc2c(cc1C(C)=O)OCCO2)(OCC)OCC.
What is the InChIKey of 1-[7-(2-triethoxysilylethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethanone?
The InChIKey is DGCSRSXDBCIWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O6Si/c1-5-22-25(23-6-2,24-7-3)11-8-15-12-17-18(21-10-9-20-17)13-16(15)14(4)19/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-[7-(2-triethoxysilylethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethanone?
1-[7-(2-triethoxysilylethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethanone has a molecular weight of 368.50 g/mol, XLogP of 3.25, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2-triethoxysilylethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethanone is sourced from PubChem (CID 101477456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).