2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl-trimethoxysilane

C14H22O5Si — CID 170900368

IUPAC2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl-trimethoxysilane
SMILESCO[Si](CCc1ccc2c(c1)OC(C)(C)O2)(OC)OC
InChIInChI=1S/C14H22O5Si/c1-14(2)18-12-7-6-11(10-13(12)19-14)8-9-20(15-3,16-4)17-5/h6-7,10H,8-9H2,1-5H3
InChIKeyJTDNFTDUGRHALD-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.61
Rot. Bonds6

About 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl-trimethoxysilane

2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl-trimethoxysilane (PubChem CID 170900368) has the molecular formula C14H22O5Si and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl-trimethoxysilane.

Molecular Properties

Compound Name2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl-trimethoxysilane
PubChem CID170900368
Molecular FormulaC14H22O5Si
Molecular Weight298.41 g/mol
Exact Mass298.12
IUPAC Name2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl-trimethoxysilane
SMILESCO[Si](CCc1ccc2c(c1)OC(C)(C)O2)(OC)OC
InChIInChI=1S/C14H22O5Si/c1-14(2)18-12-7-6-11(10-13(12)19-14)8-9-20(15-3,16-4)17-5/h6-7,10H,8-9H2,1-5H3
InChIKeyJTDNFTDUGRHALD-UHFFFAOYSA-N
XLogP2.61
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.61
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

3-(2,2-dimethyl-1,3-benzodioxol-5-yl)propan-1-ol
CID 102448955
O-[2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine
CID 117298603
trimethoxy-[2-[3-(2-trimethoxysilylethyl)phenyl]ethyl]silane
CID 56847492
2-(3,4-dimethylphenyl)ethyl-trimethoxysilane
CID 59566689
4-(2,2-dimethyl-1,3-benzodioxol-5-yl)butanethioic S-acid
CID 54292977
6-(2,2-dimethyl-1,3-benzodioxol-5-yl)hexanoic acid
CID 118649631
7-(2,2-dimethyl-1,3-benzodioxol-5-yl)heptanoic acid
CID 118649626
[bis(hydroxymethyl)-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]methanol
CID 123655126
2-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylethanol
CID 117294612
trimethoxy-[3-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)propyl]silane
CID 164816198
5-fluoro-2,2-dimethyl-1,3-benzodioxole
CID 18966282
2-(3,5-dimethoxyphenyl)ethyl-trimethoxysilane
CID 59566880

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl-trimethoxysilane?
The IUPAC name of 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl-trimethoxysilane (CID 170900368) is 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl-trimethoxysilane.
What is the SMILES notation for 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl-trimethoxysilane?
The canonical SMILES for 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl-trimethoxysilane is CO[Si](CCc1ccc2c(c1)OC(C)(C)O2)(OC)OC.
What is the InChIKey of 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl-trimethoxysilane?
The InChIKey is JTDNFTDUGRHALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5Si/c1-14(2)18-12-7-6-11(10-13(12)19-14)8-9-20(15-3,16-4)17-5/h6-7,10H,8-9H2,1-5H3.
What are the key properties of 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl-trimethoxysilane?
2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl-trimethoxysilane has a molecular weight of 298.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl-trimethoxysilane is sourced from PubChem (CID 170900368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).