2-(1,3-benzodioxol-5-yl)ethynyl-trimethylsilane

C12H14O2Si — CID 10911026

IUPAC2-(1,3-benzodioxol-5-yl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccc2c(c1)OCO2
InChIInChI=1S/C12H14O2Si/c1-15(2,3)7-6-10-4-5-11-12(8-10)14-9-13-11/h4-5,8H,9H2,1-3H3
InChIKeyZAIKPTXKIFHSKC-UHFFFAOYSA-N
MW218.33 g/mol
LogP2.64
Rot. Bonds

About 2-(1,3-benzodioxol-5-yl)ethynyl-trimethylsilane

2-(1,3-benzodioxol-5-yl)ethynyl-trimethylsilane (PubChem CID 10911026) has the molecular formula C12H14O2Si and a molecular weight of 218.33 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)ethynyl-trimethylsilane
PubChem CID10911026
Molecular FormulaC12H14O2Si
Molecular Weight218.33 g/mol
Exact Mass218.08
IUPAC Name2-(1,3-benzodioxol-5-yl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccc2c(c1)OCO2
InChIInChI=1S/C12H14O2Si/c1-15(2,3)7-6-10-4-5-11-12(8-10)14-9-13-11/h4-5,8H,9H2,1-3H3
InChIKeyZAIKPTXKIFHSKC-UHFFFAOYSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethynyl]silane
CID 15831450
5-(4-phenylbuta-1,3-diynyl)-1,3-benzodioxole
CID 71360276
5-(2-phenylethynyl)-1,3-benzodioxole
CID 101498282
7-[2-(1,3-benzodioxol-5-yl)ethynyl]-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepine
CID 69292433
4-(1,3-benzodioxol-5-yl)-2-methylbut-3-yn-2-ol
CID 134862576
3-(1,3-benzodioxol-5-yl)prop-2-yn-1-ol
CID 11137646
5-[2-[4-[2-(3,4-dimethoxyphenyl)ethynyl]phenyl]ethynyl]-1,3-benzodioxole
CID 170459548
5-[2-(3,5-dimethoxyphenyl)ethynyl]-1,3-benzodioxole
CID 171920415
3-[2-(1,3-benzodioxol-5-yl)ethynyl]-5-methyl-1,2,4-triazine
CID 16736025
5-(4-chlorobut-1-ynyl)-1,3-benzodioxole
CID 170467885
5-[2-[2-[2-(3,4-dimethoxyphenyl)ethynyl]-4,5-dimethoxyphenyl]ethynyl]-1,3-benzodioxole
CID 170459710
4-(1,3-benzodioxol-5-yl)but-3-ynoic acid
CID 83700882

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)ethynyl-trimethylsilane (CID 10911026) is 2-(1,3-benzodioxol-5-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)ethynyl-trimethylsilane?
The InChIKey is ZAIKPTXKIFHSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2Si/c1-15(2,3)7-6-10-4-5-11-12(8-10)14-9-13-11/h4-5,8H,9H2,1-3H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)ethynyl-trimethylsilane?
2-(1,3-benzodioxol-5-yl)ethynyl-trimethylsilane has a molecular weight of 218.33 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 10911026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).