2,3-dihydro-1,4-benzodioxin-6-yl(triethoxy)silane

C14H22O5Si — CID 71105875

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl(triethoxy)silane
SMILESCCO[Si](OCC)(OCC)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H22O5Si/c1-4-17-20(18-5-2,19-6-3)12-7-8-13-14(11-12)16-10-9-15-13/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyFAMCZZDLTYXSEP-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.71
Rot. Bonds7

About 2,3-dihydro-1,4-benzodioxin-6-yl(triethoxy)silane

2,3-dihydro-1,4-benzodioxin-6-yl(triethoxy)silane (PubChem CID 71105875) has the molecular formula C14H22O5Si and a molecular weight of 298.41 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl(triethoxy)silane.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl(triethoxy)silane
PubChem CID71105875
Molecular FormulaC14H22O5Si
Molecular Weight298.41 g/mol
Exact Mass298.12
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl(triethoxy)silane
SMILESCCO[Si](OCC)(OCC)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H22O5Si/c1-4-17-20(18-5-2,19-6-3)12-7-8-13-14(11-12)16-10-9-15-13/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyFAMCZZDLTYXSEP-UHFFFAOYSA-N
XLogP1.71
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.71
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

1,3-benzodioxol-5-yl-ethoxy-dimethylsilane
CID 153484644
2,3-dihydro-1,4-benzodioxin-6-yl(trimethyl)silane
CID 130535838
triethoxy-(9-methyl-14-triethoxysilyl-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-5-yl)silane
CID 177440251
dimethyl-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)silane
CID 102398924
triethyl 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyl silicate
CID 101395255
triethoxy-(8-triethoxysilylthianthren-2-yl)silane
CID 71116866
triethoxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silane
CID 164816392
3-(2-methyl-6-triethoxysilyl-4H-1,3,2-benzodioxasilin-2-yl)propan-1-amine
CID 164816495
silane;triethoxy(phenyl)silane;hydrofluoride
CID 174494492
triethoxy-(4-fluoro-3-methoxyphenyl)silane
CID 146005006
triethoxy(thianthren-2-yl)silane
CID 71116676
(3-bromophenyl)-triethoxysilane
CID 68740419

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl(triethoxy)silane?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl(triethoxy)silane (CID 71105875) is 2,3-dihydro-1,4-benzodioxin-6-yl(triethoxy)silane.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl(triethoxy)silane?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl(triethoxy)silane is CCO[Si](OCC)(OCC)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl(triethoxy)silane?
The InChIKey is FAMCZZDLTYXSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5Si/c1-4-17-20(18-5-2,19-6-3)12-7-8-13-14(11-12)16-10-9-15-13/h7-8,11H,4-6,9-10H2,1-3H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl(triethoxy)silane?
2,3-dihydro-1,4-benzodioxin-6-yl(triethoxy)silane has a molecular weight of 298.41 g/mol, XLogP of 1.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl(triethoxy)silane is sourced from PubChem (CID 71105875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).